issues
search
gcorso
/
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
https://arxiv.org/abs/2210.01776
MIT License
1.06k
stars
254
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
installation issue
#203
ssalaniwal
opened
6 months ago
4
FileNotFoundError: [Errno 2] No such file or directory: 'data/BindingMOAD_2020_ab_processed_biounit/moad_sequences_new'
#202
srilekha1993
closed
6 months ago
1
issue in the diffdock environment created from .yaml
#201
SoodabehGhaffari
opened
6 months ago
5
Struggling to replicate PDBBind results
#200
nkami
closed
6 months ago
5
Chain length limited to 1022
#199
polo9719
closed
5 months ago
2
Moad dataset broken archive
#198
rpowalski
opened
6 months ago
5
Problem running the inference using .csv file as input
#197
starwingc
closed
6 months ago
2
Executes but quickly leads to "Expected all tensors to be on the same device"
#196
wwchen256
closed
6 months ago
1
PDBConstructionWarning and error code: 2
#195
maciejwisniewski-drugdiscovery
opened
7 months ago
0
Question on how to use the evaluate.py
#194
starwingc
closed
7 months ago
2
Failing to run Openfold when providing protein sequence (using Docker image)
#193
mikael-h-christensen
closed
5 months ago
0
as for the input pdb file, with or withg original ligand in this new version
#192
MachineGUN001
opened
7 months ago
0
Correct default `data_dir` in `esm_embedding_preparation.py`
#191
amorehead
closed
5 months ago
0
DiffDock v1.1 cannot read Amber residue names for the histidine amino acid residue
#190
polo9719
opened
7 months ago
1
Failure due to a shape mismatch by inference.py
#189
yukisoya
opened
7 months ago
1
Rename `inference_args.yaml` to `default_inference_args.yaml` in `README.md`
#188
amorehead
closed
7 months ago
0
Strange evaluation results on the PoseBuster set
#187
LongHung-Pham
closed
7 months ago
0
Really old version of Prody
#186
surak
opened
7 months ago
0
Can't install with latest conda
#185
surak
closed
7 months ago
3
Update layers.py
#184
eltociear
closed
5 months ago
1
Changes to support diffdock service
#183
donbyron02
closed
7 months ago
1
Version 1.1
#182
jsilter
closed
7 months ago
0
Scale down tr_perturb
#181
rcrehuet
closed
4 weeks ago
0
unable to execute
#180
debanjansen48
opened
7 months ago
4
docking for local PDB
#179
biotech70
opened
7 months ago
0
Unknown layout
#178
kuang2003
opened
7 months ago
2
Error encounter when using evaluate.py on my results generated by inference.py
#177
starwingc
closed
7 months ago
0
Runtime Error: The detected CUDA version (12.3) mismatches the version that was used to compile PyTorch (11.3). Please make sure to use the same CUDA versions.
#176
suryasiriki4
closed
8 months ago
1
No module named inference
#175
starwingc
closed
8 months ago
0
Installation error - GLIBC_2.34 related
#174
Huanle
opened
9 months ago
1
Params for hydrogens and original 3D conformation
#173
donbyron02
closed
9 months ago
1
Handling PDBs with "Unknown AA"
#172
rkakamilan
opened
10 months ago
0
Segmentation fault
#171
bio-rat
opened
10 months ago
9
Predicted score vectors do NOT seem to be satisfying
#170
YoungjunLee13
opened
10 months ago
0
Anaconda.
#169
blurry-cat
closed
10 months ago
2
Meaning of 'tr_g, rot_g, tor_g' and 'tr_perturb, rot_perturb, tor_perturb' in 'sampling.py' and some more
#168
YoungjunLee13
opened
11 months ago
1
Issue about confidence_train.py
#167
Nemoto-S
opened
11 months ago
0
I have a question about the protein and ligand preparation
#166
arya-blip
opened
12 months ago
0
Error installing openfold
#165
evancollins1
opened
1 year ago
3
How to change the cache id of confidence model?
#164
Xu-kexin
closed
11 months ago
2
Why compute rotation angle score on f(w), not on p(w)?
#163
gujh14
opened
1 year ago
0
Does the size of RAM need to be larger than 36GB?
#162
YoungjunLee13
closed
11 months ago
2
Update `torus.py` to avoid potential divide-by-zero NaNs in torus scores
#161
amorehead
closed
5 months ago
0
DiffDock execution error issue
#160
suppakoko
closed
1 year ago
0
Unable to reproduce the experimental results of the paper
#159
Xu-kexin
opened
1 year ago
3
Installation issues
#158
xavierchee
opened
1 year ago
1
ProLIF has been upgraded to [2.0.0] - 2023-09-03
#157
stan1233
opened
1 year ago
0
How to train with multiple GPUs?
#156
amorehead
closed
1 year ago
3
Upgrade `e3nn` to fix batch normalization runtime issue with `final_conv` module
#155
amorehead
closed
5 months ago
2
Questions about infenerce
#154
zhuhui-in
opened
1 year ago
0
Previous
Next