Skip to content

Issues: gcorso/DiffDock

New issue

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

#

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

Already on GitHub? # to your account

104 Open 124 Closed
104 Open 124 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

Diffdock documentation and understanding outputs -- multiple sdfs not allowed by naming convention?
#262 opened Oct 29, 2024 by blakemertz
1
Training Details of Diffdock-L
#261 opened Oct 24, 2024 by ShuoAndy
Variation of scores of different runs of inference.py
#260 opened Oct 24, 2024 by sri480673
no module named inference, openfold with pytorch2 and cuda12
#259 opened Oct 23, 2024 by blakemertz
2
current limit exceeds maximum limit
#258 opened Oct 18, 2024 by MrGao1997
confusion about the value of confidence
#257 opened Oct 11, 2024 by YangPH0624
1
Program y has been stuck and not responding
#256 opened Oct 10, 2024 by YangPH0624
| #error C++17 or later compatible compiler is required to use ATen.
#255 opened Oct 10, 2024 by YangPH0624
What is OpenFold used for and how to configure energy minimization
#254 opened Oct 8, 2024 by Sue-Fwl
RuntimeError: invalid value in pickle
#253 opened Sep 23, 2024 by ShuoAndy
How to dock ligand into active site with the existence of HEME?
#252 opened Sep 21, 2024 by aw10279
Invalid Value Encountered in Sqrt
#250 opened Sep 8, 2024 by navvye
3
RuntimeWarning: invalid value encountered in cast Y = indices.astype(int)
#247 opened Aug 28, 2024 by wxdwxda
2
Parameters of all models
#242 opened Jul 18, 2024 by Endyff
Fail to run multi complexe with csv boolean index did not match indexed array along dimension 0
#240 opened Jul 11, 2024 by AmT42
Error : terminate called after throwing an instance of 'std::system_error'
#239 opened Jul 2, 2024 by makkyle
Logger index error out of range
#238 opened Jun 26, 2024 by srilekha1993
ValueError: No edges and no nodes
#237 opened Jun 22, 2024 by srilekha1993
3
Web UI 'Samples Per Complex' Input Not Reflecting Changes
#235 opened Jun 18, 2024 by pgarrett-scripps
Float division by zero on CUDA memory outage
#234 opened Jun 17, 2024 by Linus-XZX
bfloat16 version of Diffdock
#233 opened Jun 14, 2024 by srilekha1993
Side chains relevance in DiffDock predictions
#232 opened Jun 6, 2024 by juangaropascual
Failed on different complexes for inference.py on CPU and GPU are different for different batch size
#229 opened May 27, 2024 by srilekha1993
4
Installation failed (Openfold, CUDA issues)
#228 opened May 24, 2024 by Moricant
8
_LinAlgErr when running inference
#227 opened May 18, 2024 by ingcoder
2
ProTip! Updated in the last three days: updated:>2024-11-02.