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Delete: Directly optimizing lead in protein pockets, including linker design, fragment elaboration, scaffold hopping and side-chain decoration
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where is this file (from generate_prot_ply import compute_inp_surface) ?
#13
kim-bo-min
opened
1 week ago
1
Update finetuning scripts and Fix some previous bugs.
#12
MegaGatlingPea
closed
1 week ago
0
How to preprocess a custom training dataset?
#11
zh2417
opened
1 month ago
1
Commit pretrain.yml config file
#10
MegaGatlingPea
closed
1 month ago
0
Commit scripts to preprocess dataset given by nablaDFT and pretrain the model.
#9
MegaGatlingPea
closed
1 month ago
0
Commit scripts to preprocess dataset given by nablaDFT
#8
MegaGatlingPea
closed
1 month ago
0
Questions about how to train the model
#7
zh2417
opened
4 months ago
3
not ./data/README.MD in this repositor
#6
FeilongWuHaa
opened
6 months ago
1
Is there something fundamentally wrong with deleting large molecules
#5
amin-sagar
opened
8 months ago
4
Question for Linker Design
#4
bwang-ecnu
opened
8 months ago
1
masking part question
#3
qoeogns09
closed
9 months ago
1
small issue and GPU environment question
#2
qoeogns09
closed
10 months ago
3
yml files don't seem to correct
#1
amin-sagar
closed
8 months ago
4