Issues
- 5
Unrecognized atom type
#255 opened by CLG68 - 0
Question Regarding Data Preprocessing for train.lmdb and valid.lmdb from MOAD in docking_v2 Directory
#259 opened by iceissey - 2
- 1
demo.sh doesn't make pkl file
#256 opened by min0210 - 7
- 10
fused_multi_tensor is not installed corrected
#184 opened by lindafei01 - 3
docking.py error
#248 opened by Golden-proteogenomics - 9
- 3
您好,请问可以提供原始口袋的pdb文件吗
#235 opened by lmqfly - 1
instructions/examples
#226 opened by CLG68 - 5
problems running demo files
#236 opened by CLG68 - 5
No module named unicore.data
#180 opened by Zephyr271828 - 2
- 4
--steric_clash_fix does not work correctly
#230 opened by alkosh1 - 7
- 4
Error with installation of Uni-Mol tools
#220 opened by dgg95223 - 3
往logging_output写日志时导致内存泄露问题
#173 opened by smxzhangxiaaobo - 3
Ligand Preparation / Result Issue with Docking V2
#225 opened by denizkavi - 0
Question about padding in molecule collation/batching
#218 opened by FarzanT - 9
pad fixing for unimol and docking pose
#215 opened by nbrosse - 1
- 1
Inclusion of additional input features
#213 opened by Rhys-McAlister - 1
Create unimol+ embeddings
#208 opened by maxime-duchateau - 1
unimol_tools do not make use of gpu when infer
#212 opened by PoloWitty - 1
Correting patoms
#210 opened by Bae-SungHan - 0
Multi-label classification training
#209 opened by YikunHan42 - 1
uni_mol_tools weight
#207 opened by JJFORJEY - 5
The Colab notebook has lmdb error
#187 opened by ryan-pauling-ai - 2
About hyper parameter tuning
#204 opened by gihanpanapitiya - 10
about an error in the multi-task regression
#199 opened by yxnyu - 2
code problem
#188 opened by coderabbittank - 2
parameters of Uni-Mol
#185 opened by lindafei01 - 0
- 1
无法使用scaffold数据划分方式
#192 opened by wklix - 0
posebuster
#191 opened by ActionBeam - 3
- 2
No module named 'unicore'
#179 opened by lindafei01 - 1
How to add custom loss using uni-core package
#183 opened by DrakeAmmer - 2
- 0
Parallel processing doesn't work when generating training datasets using get_3d_lmdb.py
#176 opened by congffu - 0
How to get 3D coordinates?
#175 opened by yddr - 4
Could you provide some implementations about Gaussian kernel and Radial Bessel basis?
#165 opened by SongtaoLiu0823 - 2
- 6
单机多卡报索引错误
#170 opened by zhangxiaaobo - 2
Unimol预测新分子
#169 opened by wklix - 2
Missing values in tox21 dataset
#162 opened by gihanpanapitiya - 1
segmentation fault ( core dumped )
#157 opened by maydaymaydayy - 1
- 0
Bug in unimol_tools when using split parameter
#160 opened by zhangkaihua88 - 0
Bug in unimol_tools when using early_stopping
#158 opened by zhangkaihua88