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dptech-corp
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Uni-Dock-Dev
Uni-Dock: a GPU-accelerated molecular docking program
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doc:update unidock new bm test result images
#43
dp-yuanyn
closed
6 months ago
0
doc: update unidock_tools README
#42
dp-yuanyn
closed
6 months ago
0
Update Readme Files
#41
caic99
closed
6 months ago
0
Add unit test case
#40
ysyecust
closed
6 months ago
0
Feature/template mode
#39
ysyecust
closed
6 months ago
0
Update MAX_NUM_OF_LIG_TORSION and MAX_NUM_OF_ATOMS constants
#38
ysyecust
closed
6 months ago
0
Set `wget --quiet` in Dockerfile
#37
caic99
closed
6 months ago
0
fix:tool dockerfile
#36
dp-yuanyn
closed
6 months ago
0
Update MAX_NUM_OF_ATOMS_ constant values
#35
ysyecust
closed
6 months ago
0
update issue template for bug report
#34
caic99
closed
6 months ago
0
[Feature] Add template mode for docking calculation
#33
ysyecust
closed
6 months ago
0
Update CI workflows and add benchmark
#32
caic99
closed
6 months ago
0
Update Dockerfiles
#31
caic99
closed
6 months ago
0
Bump actions/setup-python from 3 to 5
#30
dependabot[bot]
closed
6 months ago
0
Bump docker/build-push-action from 2 to 5
#29
dependabot[bot]
closed
6 months ago
0
Bump docker/login-action from 1 to 3
#28
dependabot[bot]
closed
6 months ago
0
Bump actions/checkout from 2 to 4
#27
dependabot[bot]
closed
6 months ago
0
rename dockerfile name
#26
YNYuan
closed
6 months ago
0
refactor unidock tools cicd workflow
#25
dp-yuanyn
closed
6 months ago
1
refactor unidock tools cicd workflow
#24
YNYuan
closed
6 months ago
0
refactor unidocktools cicd workflow
#23
dp-yuanyn
closed
6 months ago
0
feat: e2e test, build: update tools cicd
#22
dp-yuanyn
closed
6 months ago
0
Update README for UniDock-Tools
#21
YNYuan
closed
6 months ago
1
Add GPU model support policy
#20
caic99
closed
6 months ago
0
refactor of unidock_tools
#19
dp-yuanyn
closed
6 months ago
3
create issue templates
#18
caic99
closed
7 months ago
0
Add GPU model support policy
#17
caic99
closed
7 months ago
0
Add Guidance
#16
dp-yuanyn
closed
7 months ago
0
Add DocTest
#15
dp-yuanyn
opened
7 months ago
0
Add timeout in CUDA to prevent Uni-Dock stuck
#14
dp-yuanyn
closed
6 months ago
0
list GPU models Uni-Dock may not support
#13
dp-yuanyn
closed
6 months ago
1
Add PDB to PDBQT function in unidock_tools
#12
dp-yuanyn
closed
6 months ago
1
[feature/Hbond branch] MCS constrained docking failed
#11
dp-yuanyn
opened
7 months ago
1
[Feature] Features Request from Uni-Dock Repo
#10
zhengh96
opened
7 months ago
0
[Application] Blind Docking
#9
zhengh96
opened
7 months ago
0
[Tutorial] Collaboration Guidelines with All Contributors
#8
zhengh96
closed
6 months ago
6
[Feature] Ligand&Protein Preparation UniDockTools
#7
zhengh96
closed
6 months ago
4
[Test] Add Integration Tests
#6
zhengh96
closed
6 months ago
4
[Test] Add Unit Test Example
#5
zhengh96
opened
7 months ago
0
[CI/CD] Build a CI/CD Process
#4
zhengh96
closed
6 months ago
5
[Release] Please Prepare for the Release of Uni-Dock v1.1
#3
zhengh96
opened
7 months ago
1
[Tutorial] How to Add New Atom Types to Uni-Dock
#2
zhengh96
opened
7 months ago
0
[Cleanup] Remove Outdated and Unused Code Fragments
#1
zhengh96
opened
7 months ago
0