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carbonsilicon-ai
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CarsiDock
Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training" proposed by CarbonSilicon AI.
http://dx.doi.org/10.1039/D3SC05552C
Apache License 2.0
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Fail to reproduce Posebuster benchmark result
#11
simmed00
opened
3 months ago
5
Since carsidock is so powerful, could the author provide the training script so that we can train the model ourselves？
#10
Caozhinan
opened
4 months ago
1
Run failed to compute RMSD. Very little info to debug.
#9
agarrubio
opened
4 months ago
2
run_screening.py Script Fails with "IndexError: list index out of range" on Certain DEKOIS Targets
#8
ORCAaAaA-ui
closed
5 months ago
1
Inconsistent Scoring Data between SDF Files and score.dat in DEKOIS Benchmark Screening
#7
ORCAaAaA-ui
closed
5 months ago
1
Pre-training & fine-tuning implementations
#6
OnlyEpisode
closed
5 months ago
1
running it w/o using docker
#5
CLG68
closed
7 months ago
3
Shared Memory Shortage Issue and Unidentified Additional File Generation While Using CarsiDock
#4
ORCAaAaA-ui
closed
7 months ago
1
Docker image reporting errors
#3
blurry-cat
closed
8 months ago
7
Sorting of conformers in the output sdf file
#2
Le-Phung-Hien
closed
8 months ago
1
Docker Container does not support RTX4090
#1
JasonIsaac-Lofty
closed
1 year ago
6