diff --git a/models/alignn/alignn.yml b/models/alignn/alignn.yml index 32d4f808..54120b2f 100644 --- a/models/alignn/alignn.yml +++ b/models/alignn/alignn.yml @@ -40,6 +40,7 @@ targets: E model_params: 4_026_753 # pre-trained 'mp_e_form_alignn' and our custom MBD checkpoint have the same size # for other hyperparams, see alignn-config.json n_estimators: 1 +pr_url: https://github.com/janosh/matbench-discovery/pull/85 # model trained from specifically for MBD training_set: [MP 2022] diff --git a/models/alignn_ff/alignn-ff.yml b/models/alignn_ff/alignn-ff.yml index a84d6ac0..9f4afd65 100644 --- a/models/alignn_ff/alignn-ff.yml +++ b/models/alignn_ff/alignn-ff.yml @@ -33,6 +33,7 @@ url: https://jarvis.nist.gov/jalignn doi: https://doi.org/10.1039/D2DD00096B paper: https://arxiv.org/abs/2209.05554 pypi: https://pypi.org/project/alignn +pr_url: https://github.com/janosh/matbench-discovery/pull/37 requirements: ase: 3.22.0 diff --git a/models/bowsr/bowsr.yml b/models/bowsr/bowsr.yml index 922ee49e..6f5e92de 100644 --- a/models/bowsr/bowsr.yml +++ b/models/bowsr/bowsr.yml @@ -21,6 +21,7 @@ url: https://materialsvirtuallab.github.io/maml doi: https://doi.org/10.1016/j.mattod.2021.08.012 paper: https://arxiv.org/abs/2104.10242 pypi: https://pypi.org/project/maml +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: maml: 2022.9.20 diff --git a/models/cgcnn/cgcnn+p.yml b/models/cgcnn/cgcnn+p.yml index d61f675e..10dc70aa 100644 --- a/models/cgcnn/cgcnn+p.yml +++ b/models/cgcnn/cgcnn+p.yml @@ -19,6 +19,7 @@ authors: repo: https://github.com/JasonGibsonUfl/Augmented_CGCNN doi: https://doi.org/10.1038/s41524-022-00891-8 paper: https://arxiv.org/abs/2202.13947 +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: aviary: https://github.com/CompRhys/aviary/releases/tag/v0.1.0 diff --git a/models/cgcnn/cgcnn.yml b/models/cgcnn/cgcnn.yml index 00eb8773..2d2dd64f 100644 --- a/models/cgcnn/cgcnn.yml +++ b/models/cgcnn/cgcnn.yml @@ -15,6 +15,7 @@ authors: repo: https://github.com/CompRhys/aviary doi: https://doi.org/10.1103/PhysRevLett.120.145301 paper: https://arxiv.org/abs/1710.10324 +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: aviary: https://github.com/CompRhys/aviary/releases/tag/v0.1.0 diff --git a/models/chgnet/chgnet.yml b/models/chgnet/chgnet.yml index 706076b8..0f40c85f 100644 --- a/models/chgnet/chgnet.yml +++ b/models/chgnet/chgnet.yml @@ -33,6 +33,7 @@ repo: https://github.com/CederGroupHub/chgnet doi: https://doi.org/10.48550/arXiv.2302.14231 paper: https://arxiv.org/abs/2302.14231 pypi: https://pypi.org/project/chgnet +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: torch: 1.11.0 diff --git a/models/eqV2/eqV2-m-omat-mp-salex.yml b/models/eqV2/eqV2-m-omat-mp-salex.yml index da803c3d..4b39decd 100644 --- a/models/eqV2/eqV2-m-omat-mp-salex.yml +++ b/models/eqV2/eqV2-m-omat-mp-salex.yml @@ -36,6 +36,7 @@ doi: https://doi.org/10.48550/arXiv.2410.12771 paper: https://arxiv.org/abs/2410.12771 url: https://huggingface.co/fairchem/OMAT24 pypi: https://pypi.org/project/fairchem-core +pr_url: https://github.com/janosh/matbench-discovery/pull/146 requirements: fairchem-core: 1.2.1 diff --git a/models/eqV2/eqV2-s-dens-mp.yml b/models/eqV2/eqV2-s-dens-mp.yml index 0bb68caf..0729759e 100644 --- a/models/eqV2/eqV2-s-dens-mp.yml +++ b/models/eqV2/eqV2-s-dens-mp.yml @@ -36,6 +36,7 @@ doi: https://doi.org/10.48550/arXiv.2410.12771 paper: https://arxiv.org/abs/2410.12771 url: https://huggingface.co/fairchem/OMAT24 pypi: https://pypi.org/project/fairchem-core +pr_url: https://github.com/janosh/matbench-discovery/pull/146 requirements: fairchem-core: 1.2.1 diff --git a/models/gnome/gnome.yml b/models/gnome/gnome.yml index 3657eb01..6ad7e4ef 100644 --- a/models/gnome/gnome.yml +++ b/models/gnome/gnome.yml @@ -24,6 +24,7 @@ authors: repo: https://github.com/google-deepmind/materials_discovery doi: https://doi.org/10.1038/s41586-023-06735-9 paper: https://nature.com/articles/s41586-023-06735-9 +pr_url: https://github.com/janosh/matbench-discovery/pull/84 requirements: e3nn-jax: 0.20.3 diff --git a/models/grace2l_r6/grace2l-r6.yml b/models/grace2l_r6/grace2l-r6.yml index 8ba45f4f..94654d7d 100644 --- a/models/grace2l_r6/grace2l-r6.yml +++ b/models/grace2l_r6/grace2l-r6.yml @@ -22,7 +22,8 @@ trained_by: repo: https://github.com/ICAMS/grace-tensorpotential doi: https://doi.org/10.1103/PhysRevX.14.021036 paper: https://journals.aps.org/prx/abstract/10.1103/PhysRevX.14.021036 -url: https://gracemaker.readthedocs.io/en/latest/gracemaker/foundation/ +url: https://gracemaker.readthedocs.io/en/latest/gracemaker/foundation +pr_url: https://github.com/janosh/matbench-discovery/pull/160 requirements: tensorpotential: 0.4.4 diff --git a/models/m3gnet/m3gnet.yml b/models/m3gnet/m3gnet.yml index c4d7a446..183c80ab 100644 --- a/models/m3gnet/m3gnet.yml +++ b/models/m3gnet/m3gnet.yml @@ -18,6 +18,7 @@ url: https://materialsvirtuallab.github.io/m3gnet doi: https://doi.org/10.1038/s43588-022-00349-3 paper: https://arxiv.org/abs/2202.02450 pypi: https://pypi.org/project/matgl +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: m3gnet: 0.1.0 diff --git a/models/mace/mace-mp-0.yml b/models/mace/mace-mp-0.yml index 0f53dde0..8ecdc35b 100644 --- a/models/mace/mace-mp-0.yml +++ b/models/mace/mace-mp-0.yml @@ -30,10 +30,12 @@ trained_by: affiliation: Lawrence Berkeley National Laboratory orcid: https://orcid.org/0000-0002-4017-7084 github: https://github.com/chiang-yuan + repo: https://github.com/ACEsuit/mace doi: https://doi.org/10.48550/arXiv.2401.00096 paper: https://arxiv.org/abs/2401.00096 pypi: https://pypi.org/project/mace-torch +pr_url: https://github.com/janosh/matbench-discovery/pull/48 requirements: mace-torch: 0.3.3 diff --git a/models/mace/mace-mpa-0.yml b/models/mace/mace-mpa-0.yml index f2237965..13fe188b 100644 --- a/models/mace/mace-mpa-0.yml +++ b/models/mace/mace-mpa-0.yml @@ -31,10 +31,12 @@ trained_by: affiliation: University of Cambridge email: ilyes.batatia@ens-paris-saclay.fr orcid: https://orcid.org/0000-0001-6915-9851 + repo: https://github.com/ACEsuit/mace doi: https://doi.org/10.48550/arXiv.2401.00096 paper: https://arxiv.org/abs/2401.00096 pypi: https://pypi.org/project/mace-torch +pr_url: https://github.com/janosh/matbench-discovery/pull/175 requirements: mace-torch: 0.3.9 diff --git a/models/mattersim/mattersim-v1.yml b/models/mattersim/mattersim-v1.yml index 08a97e66..dd329691 100644 --- a/models/mattersim/mattersim-v1.yml +++ b/models/mattersim/mattersim-v1.yml @@ -76,6 +76,7 @@ authors: repo: https://github.com/microsoft/mattersim doi: https://doi.org/10.48550/arXiv.2405.04967 paper: https://arxiv.org/abs/2405.04967 +pr_url: https://github.com/janosh/matbench-discovery/pull/178 requirements: Graphormer: v1 diff --git a/models/megnet/megnet.yml b/models/megnet/megnet.yml index 0b867573..1c13c095 100644 --- a/models/megnet/megnet.yml +++ b/models/megnet/megnet.yml @@ -26,6 +26,7 @@ url: https://materialsvirtuallab.github.io/megnet doi: https://doi.org/10.1021/acs.chemmater.9b01294 paper: https://arxiv.org/abs/1812.05055 pypi: https://pypi.org/project/megnet +pr_url: https://github.com/janosh/matbench-discovery/pull/85 requirements: megnet: 1.3.2 diff --git a/models/orb/orb-mptrj.yml b/models/orb/orb-mptrj.yml index 3cee0be3..a0282468 100644 --- a/models/orb/orb-mptrj.yml +++ b/models/orb/orb-mptrj.yml @@ -30,6 +30,7 @@ repo: https://github.com/orbital-materials/orb-models url: https://orbitalmaterials.com/post/technical-blog-introducing-the-orb-ai-based-interatomic-potential doi: https://doi.org/10.48550/arXiv.2410.22570 paper: https://arxiv.org/abs/2410.22570 +pr_url: https://github.com/janosh/matbench-discovery/pull/133 openness: OSOD trained_for_benchmark: true diff --git a/models/orb/orb.yml b/models/orb/orb.yml index 43300a52..2dcba4ee 100644 --- a/models/orb/orb.yml +++ b/models/orb/orb.yml @@ -30,6 +30,7 @@ repo: https://github.com/orbital-materials/orb-models url: https://orbitalmaterials.com/post/technical-blog-introducing-the-orb-ai-based-interatomic-potential doi: https://doi.org/10.48550/arXiv.2410.22570 paper: https://arxiv.org/abs/2410.22570 +pr_url: https://github.com/janosh/matbench-discovery/pull/133 openness: OSCD trained_for_benchmark: false diff --git a/models/sevennet/sevennet-0.yml b/models/sevennet/sevennet-0.yml index 89340d7a..185f1c82 100644 --- a/models/sevennet/sevennet-0.yml +++ b/models/sevennet/sevennet-0.yml @@ -29,6 +29,7 @@ url: https://github.com/MDIL-SNU/SevenNet/tree/afb56e10b6/sevenn/pretrained_pote doi: https://doi.org/10.1021/acs.jctc.4c00190 paper: https://arxiv.org/abs/2402.03789 pypi: https://pypi.org/project/sevenn +pr_url: https://github.com/janosh/matbench-discovery/pull/112 openness: OSOD trained_for_benchmark: false diff --git a/models/sevennet/sevennet-l3i5.yml b/models/sevennet/sevennet-l3i5.yml index 593d8e5f..150477a9 100644 --- a/models/sevennet/sevennet-l3i5.yml +++ b/models/sevennet/sevennet-l3i5.yml @@ -29,6 +29,7 @@ url: https://github.com/MDIL-SNU/SevenNet/blob/main/sevenn/pretrained_potentials doi: https://doi.org/10.1021/acs.jctc.4c00190 paper: https://arxiv.org/abs/2402.03789 pypi: https://pypi.org/project/sevenn +pr_url: https://github.com/janosh/matbench-discovery/pull/172 openness: OSOD trained_for_benchmark: false diff --git a/models/voronoi_rf/voronoi-rf.yml b/models/voronoi_rf/voronoi-rf.yml index 5c9aa904..c3787abc 100644 --- a/models/voronoi_rf/voronoi-rf.yml +++ b/models/voronoi_rf/voronoi-rf.yml @@ -18,6 +18,7 @@ repo: https://github.com/janosh/matbench-discovery doi: https://doi.org/10.1103/PhysRevB.96.024104 paper: https://doi.org/10.1103/PhysRevB.96.024104 pypi: https://pypi.org/project/scikit-learn +pr_url: https://github.com/janosh/matbench-discovery/commit/f28cc6d requirements: matminer: 0.8.0 diff --git a/models/wrenformer/wrenformer.yml b/models/wrenformer/wrenformer.yml index 68d15b61..c19594c6 100644 --- a/models/wrenformer/wrenformer.yml +++ b/models/wrenformer/wrenformer.yml @@ -16,9 +16,7 @@ authors: affiliation: University of Cambridge email: re344@cam.ac.uk orcid: https://orcid.org/0000-0001-6397-0002 -repo: https://github.com/CompRhys/aviary -doi: https://doi.org/10.1126/sciadv.abn4117 -paper: https://arxiv.org/abs/2106.11132 + requirements: aviary: https://github.com/CompRhys/aviary/releases/tag/v0.1.0 torch: 1.11.0 @@ -27,6 +25,11 @@ requirements: numpy: 1.24.0 pandas: 1.5.1 +repo: https://github.com/CompRhys/aviary +doi: https://doi.org/10.1126/sciadv.abn4117 +paper: https://arxiv.org/abs/2106.11132 +pr_url: https://github.com/janosh/matbench-discovery/pull/85 + openness: OSOD trained_for_benchmark: true train_task: RP2RE diff --git a/site/src/app.css b/site/src/app.css index 1d9cd8e3..3d15b5bb 100644 --- a/site/src/app.css +++ b/site/src/app.css @@ -129,9 +129,6 @@ table :is(td, th) { border: 1px solid gray; padding: 2pt 4pt; } -table.metrics :is(td, th) { - padding: 2pt 4pt !important; -} tbody tr:nth-child(odd) { background: rgba(0, 0, 0, 0.5); } diff --git a/site/src/lib/DiscoveryMetricsTable.svelte b/site/src/lib/MetricsTable.svelte similarity index 90% rename from site/src/lib/DiscoveryMetricsTable.svelte rename to site/src/lib/MetricsTable.svelte index 104755c5..427cf655 100644 --- a/site/src/lib/DiscoveryMetricsTable.svelte +++ b/site/src/lib/MetricsTable.svelte @@ -7,7 +7,7 @@ model_is_compliant, } from '$lib' import { pretty_num } from 'elementari' - import type { HeatmapColumn, ModelData } from './types.ts' + import type { HeatmapColumn, ModelData } from './types.js' export let discovery_set: `full_test_set` | `most_stable_10k` | `unique_prototypes` = `unique_prototypes` @@ -20,6 +20,10 @@ { label: `Params`, tooltip: `Number of trainable model parameters` }, { label: `Targets`, tooltip: `Target property used to train the model` }, { label: `Date Added`, tooltip: `Submission date to the leaderboard` }, + { + label: `Links`, + tooltip: `Model resources: paper, code repository and submission pull request`, + }, ] let columns: HeatmapColumn[] @@ -165,6 +169,16 @@ Params: `${pretty_num(model.model_params)}`, Targets: targets_str, 'Date Added': `${model.date_added}`, + Links: [ + model.paper && + `📄`, + model.repo && + `📦`, + model.pr_url && + `🔗`, + ] + .filter(Boolean) + .join(` `), } }) .sort((row1, row2) => (row2.F1 ?? 0) - (row1.F1 ?? 0)) // Sort by F1 score descending diff --git a/site/src/lib/index.ts b/site/src/lib/index.ts index bba82e01..7f2b8f51 100644 --- a/site/src/lib/index.ts +++ b/site/src/lib/index.ts @@ -8,10 +8,10 @@ import type { ModelMetadata } from './model-schema' import type { ModelData } from './types' export { default as TRAINING_SETS } from '$data/training-sets.yml' -export { default as DiscoveryMetricsTable } from './DiscoveryMetricsTable.svelte' export { default as Footer } from './Footer.svelte' export { default as GeoOptMetricsTable } from './GeoOptMetricsTable.svelte' export { default as HeatmapTable } from './HeatmapTable.svelte' +export { default as MetricsTable } from './MetricsTable.svelte' export { default as AuthorBrief } from './ModelAuthor.svelte' export { default as ModelCard } from './ModelCard.svelte' export { default as Nav } from './Nav.svelte' diff --git a/site/src/lib/model-schema.d.ts b/site/src/lib/model-schema.d.ts index 46afa64e..f8d86dc3 100644 --- a/site/src/lib/model-schema.d.ts +++ b/site/src/lib/model-schema.d.ts @@ -31,6 +31,7 @@ export interface ModelMetadata { paper: string url?: string pypi?: string + pr_url: string requirements: { /** * This interface was referenced by `undefined`'s JSON-Schema definition diff --git a/site/src/routes/+page.svelte b/site/src/routes/+page.svelte index 693caae7..a29d8f81 100644 --- a/site/src/routes/+page.svelte +++ b/site/src/routes/+page.svelte @@ -1,6 +1,6 @@