Skip to content

Issues: DrugBud-Suite/DockM8

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

22 Open 16 Closed
22 Open 16 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Fully functional docker or singularity image with all dependencies
#67 opened Nov 10, 2024 by mmagithub
Add ability to generate protein conformational ensemble automatically feature New feature or request
#65 opened Sep 7, 2024 by Tonylac77
1 of 2 tasks
@Tonylac77
LigGrep Implementation feature New feature or request
#62 opened Aug 23, 2024 by HiteSit
@Tonylac77
DockM8 Scoring function for Thomson Sampling routine feature New feature or request
#61 opened Aug 23, 2024 by HiteSit
@Tonylac77
MMPBSA / MMGBSA Rescoring feature New feature or request
#60 opened Aug 22, 2024 by HiteSit
@Tonylac77
Improve software installation using Python scripts improvement Improvement that is not a new feature
#55 opened Jul 16, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Add new pose selection algorithms feature New feature or request
#42 opened May 25, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Allow for active compound retrieval from CHEMBL and other datasets for decoy generation
#18 opened Mar 19, 2024 by Tonylac77 DockM8 V2
@Tonylac77
1
Improve conformer generation feature New feature or request
#17 opened Mar 18, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Add better reporting after docking run feature New feature or request
#16 opened Mar 18, 2024 by Tonylac77
4 tasks
DockM8 V2
@Tonylac77
Improve docking pose post processing and filtering feature New feature or request
#15 opened Mar 18, 2024 by Tonylac77
1 of 7 tasks
DockM8 V2
@Tonylac77
Implement class structure
#14 opened Mar 16, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Add new binding site detection options feature New feature or request
#13 opened Mar 16, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Implement New scoring functions feature New feature or request
#11 opened Mar 13, 2024 by Tonylac77
5 of 8 tasks
DockM8 V2
@Tonylac77
Add faster docking methods
#10 opened Mar 13, 2024 by Tonylac77
3 of 6 tasks
DockM8 V2
@Tonylac77
Implement PyPackIT as a package manager feature New feature or request
#9 opened Mar 12, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Implement Pytest testing framework feature New feature or request
#8 opened Mar 12, 2024 by Tonylac77
11 of 15 tasks
DockM8 V2
@Tonylac77
Implement Active learning for docking score prediction feature New feature or request
#7 opened Mar 12, 2024 by Tonylac77
3 tasks
DockM8 V2
@Tonylac77
Add ability to perform LBVS before docking feature New feature or request
#5 opened Mar 12, 2024 by Tonylac77
7 tasks
DockM8 V2
@Tonylac77
Use database for handling molecule and avoiding repeat calculations feature New feature or request
#4 opened Mar 12, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Add automatic protein structure retrieval using UniProt ID and PDBminer feature New feature or request
#3 opened Mar 12, 2024 by Tonylac77 DockM8 V2
@Tonylac77
Create conda package feature New feature or request
#2 opened Mar 12, 2024 by Tonylac77 DockM8 V2
@Tonylac77
ProTip! Mix and match filters to narrow down what you’re looking for.