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deepmodeling
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Uni-Mol
Official Repository for the Uni-Mol Series Methods
MIT License
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unimpl_tools issue about “molecule property prediction”
#242
Golden-proteogenomics
opened
5 months ago
8
fix app link; add gif
#241
ZhouGengmo
closed
5 months ago
0
Update README.md
#240
Letian88
closed
5 months ago
0
Update README.md
#239
Letian88
closed
5 months ago
0
Update docs
#238
emotionor
closed
5 months ago
0
Fix docker and add huggingface model
#237
emotionor
closed
5 months ago
0
problems running demo files
#236
CLG68
closed
5 months ago
5
您好，请问可以提供原始口袋的pdb文件吗
#235
lmqfly
opened
5 months ago
3
pocket representations have different dimensions for pair_repr
#234
yk-sun
opened
5 months ago
9
unimo_tools 0.1.0
#233
Naplessss
closed
5 months ago
0
fix ligand name bug
#232
ZhouGengmo
closed
5 months ago
0
Update requirements.txt
#231
54yyyu
closed
5 months ago
0
--steric_clash_fix does not work correctly
#230
alkosh1
closed
5 months ago
4
Update README.md
#229
Letian88
closed
5 months ago
0
update unimol docking v2 instructions
#228
ZhouGengmo
closed
5 months ago
0
内存泄漏
#227
zhuhui-in
opened
5 months ago
7
instructions/examples
#226
CLG68
closed
5 months ago
1
Ligand Preparation / Result Issue with Docking V2
#225
denizkavi
opened
6 months ago
4
Update README.md
#224
Naplessss
closed
6 months ago
0
update model weight
#223
ZhouGengmo
closed
6 months ago
0
add unimol docking v2
#222
ZhouGengmo
closed
6 months ago
0
get_flexible_torsions, keep track of the central bond.
#221
nbrosse
closed
6 months ago
2
Error with installation of Uni-Mol tools
#220
dgg95223
opened
6 months ago
4
fix fill_diag
#219
ZhouGengmo
closed
6 months ago
0
Question about padding in molecule collation/batching
#218
FarzanT
closed
2 months ago
1
Different type of inputs by using UniMolRepr to generate embeddings.
#217
WzWang-2000
closed
5 months ago
2
Which Approach is recommended for Fine-Tuning Molecular Property Prediction
#216
ASIWU
opened
7 months ago
1
pad fixing for unimol and docking pose
#215
nbrosse
closed
7 months ago
9
fix trainer device while infer; fix read_data from dict when get repr…
#214
emotionor
closed
7 months ago
0
Inclusion of additional input features
#213
Rhys-McAlister
opened
7 months ago
1
unimol_tools do not make use of gpu when infer
#212
PoloWitty
opened
7 months ago
1
pad fixing for unimol and docking pose
#211
nbrosse
closed
7 months ago
4
Correting patoms
#210
Bae-SungHan
opened
8 months ago
1
Multi-label classification training
#209
YikunHan42
closed
8 months ago
0
Create unimol+ embeddings
#208
maxime-duchateau
opened
8 months ago
1
uni_mol_tools weight
#207
JJFORJEY
opened
8 months ago
1
Freeze
#206
emotionor
closed
10 months ago
0
fix multilabel datareader bug
#205
liuzan-info
closed
10 months ago
0
About hyper parameter tuning
#204
gihanpanapitiya
closed
10 months ago
2
update conformer.py
#203
liuzan-info
closed
10 months ago
1
update config_handler.py
#202
emotionor
closed
10 months ago
0
Fix bug caused by duplicated code
#201
liuzan-info
closed
11 months ago
0
Docs
#200
emotionor
closed
11 months ago
0
about an error in the multi-task regression
#199
yxnyu
opened
11 months ago
10
init docs of interface
#198
Naplessss
closed
11 months ago
0
add doc
#197
robotcator
closed
11 months ago
0
Disable batch shuffling. Only per sample
#196
hypnopump
closed
11 months ago
0
add task/model docs
#195
545487677
closed
11 months ago
0
Update README.md
#194
hypnopump
closed
11 months ago
0
Obtaining a representation of a molecule using a pre-trained model
#193
toooooodo
closed
11 months ago
0
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