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guanjq
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targetdiff
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
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How to reconstruct the molecule sampled from `sample_diffusion.py`
#24
Kartinaa
opened
4 weeks ago
0
code error in q_v_posterior q(v_t| v_t-1) ?
#23
FeilongWuHaa
opened
1 month ago
0
why the `model_type` setting in `training.yml` is `uni_o2`?
#22
zooay-zzy
closed
4 months ago
1
settings in training.yml
#21
Samuel-gwb
opened
7 months ago
0
Add metrics
#20
yanliang3612
closed
10 months ago
0
Questions about data preprocessing
#19
koalaaaaaaaaa
opened
11 months ago
0
This work is very meaningful, but the code implementation is very poor
#18
aigclover
closed
1 year ago
0
how to get the batch.ligand_element_batch
#17
545487677
opened
1 year ago
0
the error while running sample_for_pocket
#16
MachineGUN001
opened
1 year ago
0
Jensen-Shannon divergence
#15
pearl-rabbit
opened
1 year ago
0
Questions about pretrained models.
#14
hello-maker
closed
1 year ago
0
A Bug with the Estimation of Pocket Size
#13
linhaowei1
closed
1 year ago
2
in case of my own binding complex
#12
rokieplayer20
closed
1 year ago
5
binding affinity embedding dimesion issue
#11
rokieplayer20
closed
1 year ago
2
EGNN re-training
#10
Dornavineeth
closed
1 year ago
2
Issue with Vina Docking During Molecule Evaluation
#9
mahmoud-ekhani
opened
1 year ago
0
如何对在对指定的一个口袋进行采样后将结果转换为sdf文件？
#8
InvincibleZZH
closed
1 year ago
1
Add option to install dependencies with `mamba` install of `conda` and `pip`
#7
amorehead
closed
1 year ago
2
ZeroDivisionError in evaluation
#6
hxu105
closed
1 year ago
20
Reopening issue of not having pocket10 files for training
#5
BJWiley233
closed
1 year ago
1
The dimension of time embedding
#4
liguanlue
closed
1 year ago
1
FileNotFoundError: [Errno 2] No such file or directory: './data/crossdocked_v1.1_rmsd1.0_pocket10/index.pkl'
#3
yyou1996
closed
1 year ago
1
result to mol?
#2
orgw
closed
1 year ago
0
Affinity prediction via a complex structure？
#1
HeJunhong1107
closed
1 year ago
7