HBioquant/DiffBindFR
Diffusion model based protein-ligand flexible docking method
PythonBSD-3-Clause-Clear
Issues
- 1
TypeError: can't multiply sequence by non-int of type 'Forward' in AF2_model_docking.ipynb of cell 5.
#13 opened by rytakahashi - 0
forward_train
#15 opened by lfs119 - 1
ImportError: /anaconda3/envs/diffbindfr_env/lib/python3.9/site-packages/torch/lib/libtorch_cpu.so: undefined symbol: iJIT_NotifyEvent
#10 opened by masterwhook - 0
- 12
problems with numpy
#4 opened by CLG68 - 4
error about lmdb
#7 opened by Nireus-lgx - 3
Ca2+ ions. scoring functions
#5 opened by CLG68 - 2
use pl.py prior to scoring
#11 opened by CLG68 - 0
KeyError: 'l-rmsd'
#12 opened by haotianteng - 0
- 5
posebusters: eval: DiffBindFR/DiffBindFR/evaluation/eval.py", line 162, in runner pd_df['smina_score'] = pd_df['docked_lig'].parallel_apply( .... Error: Ran out of input
#8 opened by rytakahashi - 3
Segmentation fault (core dumped)
#6 opened by masterwhook - 3
Installation failures, and missing files
#2 opened by rytakahas - 1
problems with env.yaml
#3 opened by CLG68 - 1