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metelkin committed Jun 16, 2024
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2 changes: 1 addition & 1 deletion cases/0001/index0.heta
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/*
Create the simplest QSP model in Heta notation.
Create the complete (full) simplest QSP model in Heta notation.
Something like "hello world" in programming.
One compartment, one species, one reaction with mass action.
*/
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2 changes: 1 addition & 1 deletion cases/0002/index0.heta
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/*
Create simple kinetic model with two species and one reaction in Heta notation.
Create complete simple kinetic model with two species and one reaction in Heta notation.
Mass action kinetics is used.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0002/index1.heta
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/*
Create simple Heta model with Michaelis-Menten (MM) type reaction for r1.
Create complete simple Heta model with Michaelis-Menten (MM) type reaction for r1.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0002/index2.heta
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/*
Create simple Heta model with reversible Michaelis-Menten (MM) kinetics.
Create complete simple Heta model with reversible Michaelis-Menten (MM) kinetics.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0002/index3.heta
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/*
Create simple model with reversible MM.
Create complete simple model with reversible MM.
Add units to all components from qsp-units.heta from default template.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0002/index4.heta
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/*
Create reversible MM kinetics model with 1 substrate and 1 product.
Create reversible MM kinetics complete model with 1 substrate and 1 product.
Set units for all quantities without defineUnits. Units must be: second, micro moles, litre, etc.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0002/index5.heta
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/*
Create simple model with reversible MM.
Create simple complete Heta model with reversible MM.
Use short names for units like in qsp-units.heta
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0003/index0.heta
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/*
Create simple Heta model with constant synthesis of some metabolite.
Create complete simple Heta model with constant synthesis of some metabolite.
*/
// index.heta

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3 changes: 1 addition & 2 deletions cases/0003/index1.heta
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/*
Do not use export action.
Create Heta model for constant production of species p1 in compartment comp1.
Create complete Heta model for constant production of species p1 in compartment comp1.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0003/index3.heta
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/*
Create Heta model where product is transformed from boundary (buffered) species.
Create complete Heta model where product is transformed from boundary (buffered) species.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0003/index4.heta
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/*
Build Heta model which desribes the transport of a substance from one compartment to another.
Build complete Heta model which desribes the transport of a substance from one compartment to another.
The concentration of source species is constant and the transport is described by a first order reaction.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0004/index0.heta
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/*
Create Heta model with one substrate and zero product with mass-action law.
Create complete Heta model with one substrate and zero product with mass-action law.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0004/index1.heta
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/*
Create Heta model where substrate is eliminagted with stoichiometry 2.
Create complete Heta model where substrate is eliminagted with stoichiometry 2.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0004/index2.heta
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/*
Write Heta model with reaction where substrate is transformed to product with stoichiometry 2:1.
Write complete Heta model with reaction where substrate is transformed to product with stoichiometry 2:1.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0004/index3.heta
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/*
Create a Heta model with a single compartment, and reaction with stoicheometry
Create a complete Heta model with a single compartment, and reaction with stoicheometry
2s1 + 3s2 => p1 + p2
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0004/index4.heta
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/*
Create Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Create complete Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Use mass action law.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0004/index5.heta
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/*
Create Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Create complete Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Use mass action law.
Define units for time, volume, and concentration.
*/
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19 changes: 8 additions & 11 deletions result.jsonl
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{"prompt":" Build Heta model which desribes the transport of a substance from one compartment to another. The concentration of source species is constant and the transport is described by a first order reaction. ","completion":"// index.heta\n\n// compartments\ncomp1 @Compartment .= 1;\ncomp2 @Compartment .= 3;\n\n// species\ns1 @Species {compartment: comp1, boundary: true} .= 100;\np1 @Species {compartment: comp2} .= 0;\n\n// reactions\nr1 @Reaction {actors: s1 => p1} := k1 * s1 * comp1;\n\n// parameters\nk1 @Const = 0.1;\n"}
{"prompt":" Create Heta model where product is transformed from boundary (buffered) species. ","completion":"// index.heta\n\n// compartments\ncomp1 @Compartment .= 1;\n\n// species\np1 @Species {compartment: comp1} .= 0;\ns1 @Species {compartment: comp1, boundary: true} .= 100;\n\n// reactions\nr1 @Reaction {actors: s1 => p1} := k1 * s1 * comp1;\n\n// parameters\nk1 @Const = 0.1;\n"}
{"prompt":" Do not use export action. Create Heta model for constant production of species p1 in compartment comp1. ","completion":"// index.heta\n\n// compartments\ncomp1 @Compartment .= 1;\n\n// species\np1 @Species {compartment: comp1} .= 0;\n\n// reactions\nr1 @Reaction {actors: => p1} := vsyn;\n\n// parameters\nvsyn @Const = 0.1;\n"}
{"prompt":" Create simple Heta model with constant synthesis of some metabolite. ","completion":"// index.heta\n\n// compartments\ncomp1 @Compartment .= 1;\n\n// species\nm1 @Species {compartment: comp1} .= 0;\n\n// reactions\nr1 @Reaction {actors: => m1} := vsyn;\n\n// parameters\nvsyn @Const = 0.1;\n\n// export\n#export {format: SBML};\n"}
{"prompt":" Create simple model with reversible MM. Use short names for units like in qsp-units.heta ","completion":"// index.heta\n\n// list of units\n#defineUnit s {units: second};\n#defineUnit uM {units: (1e-6 mole)/litre};\n#defineUnit L {units: litre};\n#defineUnit umole {units: (1e-6 mole)};\n#defineUnit UL {units: dimensionless};\n\n// default time\nt {units: s};\n\n// compartment of size 1\ncomp1 @Compartment {units: L} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: uM} .= 100;\np1 @Species {compartment: comp1, units: uM} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: umole/s}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: uM/s} = 0.1;\nKm_s1 @Const {units: uM} = 0.5;\nKm_p1 @Const {units: uM} = 1.1;\nKeq @Const {units: UL} = 10;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create reversible MM kinetics model with 1 substrate and 1 product. Set units for all quantities without defineUnits. Units must be: second, micro moles, litre, etc. ","completion":"// index.heta\n\n// default time\nt {units: second};\n\n// compartment of size 1\ncomp1 @Compartment {units: litre} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: (1e-6 mole)/litre} .= 100;\np1 @Species {compartment: comp1, units: (1e-6 mole)/litre} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: (1e-6 mole)/second}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: (1e-6 mole)/litre/second} = 0.1;\nKm_s1 @Const {units: (1e-6 mole)/litre} = 0.5;\nKm_p1 @Const {units: (1e-6 mole)/litre} = 1.1;\nKeq @Const {units: dimensionless} = 10;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple model with reversible MM. Add units to all components from qsp-units.heta from default template. ","completion":"// index.heta\n\ninclude ./qsp-units.heta;\n\n// default time\nt {units: s};\n\n// compartment of size 1\ncomp1 @Compartment {units: L} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: uM} .= 100;\np1 @Species {compartment: comp1, units: uM} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: umole/s}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: uM/s} = 0.1;\nKm_s1 @Const {units: uM} = 0.5;\nKm_p1 @Const {units: uM} = 1.1;\nKeq @Const {units: UL} = 10;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple Heta model with reversible Michaelis-Menten (MM) kinetics. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true}; \nr1 := Vmax * (s1 - p1 / Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nVmax @Const = 0.1;\nKm_s1 @Const = 0.5;\nKm_p1 @Const = 1.1;\nKeq @Const = 10;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple Heta model with Michaelis-Menten (MM) type reaction for r1. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1} := Vmax * s1 / (Km + s1) * comp1;\n\n// reaction constant\nVmax @Const = 0.1;\nKm @Const = 0.5;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple kinetic model with two species and one reaction in Heta notation. Mass action kinetics is used. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1} := k1 * s1 * comp1;\n\n// reaction constant\nk1 @Const = 0.1;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple Heta model. For the same model add as many as possible available export options. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// species with initial concentration 10\ns1 @Species {compartment: comp1} .= 10;\n\n// reaction of s1 degradation\nr1 @Reaction {actors: s1 => } := k1 * s1 * comp1;\n\n// constant of reaction\nk1 @Const = 0.01;\n\n// export format\n// another directory name, long format of units\n#export {format: JSON, filepath: xxx, noUnitsExpr: true};\n// long format of units\n#export {format: YAML, noUnitsExpr: true};\n// use pow(x, y) instead of x^y in the output, group constants by the first tag, use old format of SLV file\n#export {format: DBSolve, powTransform: function, groupConstBy: \"tags[0]\", version: 25};\n// use Level 3 version 2\n#export {format: SBML, version: L3V2};\n// another directory name for output directory\n#export {format: Simbio, filepath: yyy};\n// another directory name for output directory\n#export {format: Mrgsolve, filepath: zzz};\n// omit 3 rows between header and data, use multiple sheets in the output\n#export {format: Table, omitRows: 3, bookType: xlsx};\n// another directory name for output directory\n#export {format: Julia, filepath: www};\n// another directory name for output directory\n#export {format: Matlab, filepath: qqq};\n// another directory name for output directory\n#export {format: Dot, filepath: ppp};\n// another directory name for output directory\n#export {format: Summary, filepath: ooo};\n"}
{"prompt":" Create simple Heta model. Add all available export formats with default file names and default options. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// species with initial concentration 10\ns1 @Species {compartment: comp1} .= 10;\n\n// reaction of s1 degradation\nr1 @Reaction {actors: s1 => } := k1 * s1 * comp1;\n\n// constant of reaction\nk1 @Const = 0.01;\n\n// export format\n#export {format: JSON};\n#export {format: YAML};\n#export {format: DBSolve};\n#export {format: SBML};\n#export {format: Simbio};\n#export {format: Mrgsolve};\n#export {format: Table};\n#export {format: Julia};\n#export {format: Matlab};\n#export {format: Dot};\n#export {format: Summary};\n"}
{"prompt":" Simple Heta model exported to SBML, JSON and YAML formats. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// species with initial concentration 10\ns1 @Species {compartment: comp1} .= 10;\n\n// reaction of s1 degradation\nr1 @Reaction {actors: s1 => } := k1 * s1 * comp1;\n\n// constant of reaction\nk1 @Const = 0.01;\n\n// export format\n#export {format: SBML};\n#export {format: JSON};\n#export {format: YAML};\n"}
{"prompt":" Create the simplest QSP model in Heta notation. Something like \"hello world\" in programming. One compartment, one species, one reaction with mass action. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// species with initial concentration 10\ns1 @Species {compartment: comp1} .= 10;\n\n// reaction of s1 degradation\nr1 @Reaction {actors: s1 => } := k1 * s1 * comp1;\n\n// constant of reaction\nk1 @Const = 0.01;\n\n// export format\n#export {format: SBML};\n"}
{"prompt":" Create simple Heta model with constant synthesis of some metabolite. ","completion":"// index.heta\n\n// compartments\ncomp1 @Compartment .= 1;\n\n// species\nm1 @Species {compartment: comp1} .= 0;\n\n// reactions\nr1 @Reaction {actors: => m1} := vsyn;\n\n// parameters\nvsyn @Const = 0.1;\n"}
{"prompt":" Create simple model with reversible MM. Use short names for units like in qsp-units.heta ","completion":"// index.heta\n\n// list of units\n#defineUnit s {units: second};\n#defineUnit uM {units: (1e-6 mole)/litre};\n#defineUnit L {units: litre};\n#defineUnit umole {units: (1e-6 mole)};\n#defineUnit UL {units: dimensionless};\n\n// default time\nt {units: s};\n\n// compartment of size 1\ncomp1 @Compartment {units: L} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: uM} .= 100;\np1 @Species {compartment: comp1, units: uM} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: umole/s}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: uM/s} = 0.1;\nKm_s1 @Const {units: uM} = 0.5;\nKm_p1 @Const {units: uM} = 1.1;\nKeq @Const {units: UL} = 10;\n"}
{"prompt":" Create reversible MM kinetics model with 1 substrate and 1 product. Set units for all quantities without defineUnits. Units must be: second, micro moles, litre, etc. ","completion":"// index.heta\n\n// default time\nt {units: second};\n\n// compartment of size 1\ncomp1 @Compartment {units: litre} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: (1e-6 mole)/litre} .= 100;\np1 @Species {compartment: comp1, units: (1e-6 mole)/litre} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: (1e-6 mole)/second}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: (1e-6 mole)/litre/second} = 0.1;\nKm_s1 @Const {units: (1e-6 mole)/litre} = 0.5;\nKm_p1 @Const {units: (1e-6 mole)/litre} = 1.1;\nKeq @Const {units: dimensionless} = 10;\n"}
{"prompt":" Create simple model with reversible MM. Add units to all components from qsp-units.heta from default template. ","completion":"// index.heta\n\ninclude ./qsp-units.heta;\n\n// default time\nt {units: s};\n\n// compartment of size 1\ncomp1 @Compartment {units: L} .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1, units: uM} .= 100;\np1 @Species {compartment: comp1, units: uM} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true, units: umole/s}; \nr1 := kcat * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nkcat @Const {units: uM/s} = 0.1;\nKm_s1 @Const {units: uM} = 0.5;\nKm_p1 @Const {units: uM} = 1.1;\nKeq @Const {units: UL} = 10;\n"}
{"prompt":" Create simple Heta model with reversible Michaelis-Menten (MM) kinetics. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1, reversible: true}; \nr1 := Vmax * (s1 - p1 / Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;\n\n// reaction constant\nVmax @Const = 0.1;\nKm_s1 @Const = 0.5;\nKm_p1 @Const = 1.1;\nKeq @Const = 10;\n"}
{"prompt":" Create simple Heta model with Michaelis-Menten (MM) type reaction for r1. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1} := Vmax * s1 / (Km + s1) * comp1;\n\n// reaction constant\nVmax @Const = 0.1;\nKm @Const = 0.5;\n"}
{"prompt":" Create simple kinetic model with two species and one reaction in Heta notation. Mass action kinetics is used. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// substrate and product species\ns1 @Species {compartment: comp1} .= 100;\np1 @Species {compartment: comp1} .= 0;\n\n// reaction\nr1 @Reaction {actors: s1 -> p1} := k1 * s1 * comp1;\n\n// reaction constant\nk1 @Const = 0.1;\n"}
{"prompt":" Create the simplest QSP model in Heta notation. Something like \"hello world\" in programming. One compartment, one species, one reaction with mass action. ","completion":"// index.heta\n\n// compartment of size 1\ncomp1 @Compartment .= 1;\n\n// species with initial concentration 10\ns1 @Species {compartment: comp1} .= 10;\n\n// reaction of s1 degradation\nr1 @Reaction {actors: s1 => } := k1 * s1 * comp1;\n\n// constant of reaction\nk1 @Const = 0.01;\n"}

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