issues
search
carbonsilicon-ai
/
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
65
stars
6
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Fail to reproduce Posebuster benchmark result
#11
simmed00
opened
2 weeks ago
4
Since carsidock is so powerful, could the author provide the training script so that we can train the model ourselves？
#10
Caozhinan
opened
1 month ago
1
Run failed to compute RMSD. Very little info to debug.
#9
agarrubio
opened
1 month ago
2
run_screening.py Script Fails with "IndexError: list index out of range" on Certain DEKOIS Targets
#8
ORCAaAaA-ui
closed
2 months ago
1
Inconsistent Scoring Data between SDF Files and score.dat in DEKOIS Benchmark Screening
#7
ORCAaAaA-ui
closed
2 months ago
1
Pre-training & fine-tuning implementations
#6
OnlyEpisode
closed
2 months ago
1
running it w/o using docker
#5
CLG68
closed
4 months ago
3
Shared Memory Shortage Issue and Unidentified Additional File Generation While Using CarsiDock
#4
ORCAaAaA-ui
closed
4 months ago
1
Docker image reporting errors
#3
blurry-cat
closed
6 months ago
7
Sorting of conformers in the output sdf file
#2
Le-Phung-Hien
closed
6 months ago
1
Docker Container does not support RTX4090
#1
JasonIsaac-Lofty
closed
9 months ago
6