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VirtualFlow
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VFVS
VirtualFlow for Virtual Screening
GNU General Public License v2.0
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Running VFVS on AWS Batch.
#58
dxu104
closed
3 months ago
3
Missing file: vfvs_atg_prepare_stage1.py
#57
hellowangqian
opened
5 months ago
0
I have a problem and I hope someone can help me out
#56
momzy110
opened
6 months ago
1
Optional pose check with posebusters for vina dockings
#55
csecker
opened
7 months ago
1
Error in bash script sync-jobfile.sh
#54
xavierchee
opened
7 months ago
1
convert output pdbqt files to smiles EFFICIENTLY
#53
TheJankCoder
closed
7 months ago
20
Rescoring
#52
misakadam97
opened
8 months ago
2
virtualflow and scratch
#51
TommyBiomodellingAU
closed
8 months ago
1
REAL Space files can not be downloaded
#50
ylyzz21
closed
7 months ago
3
Bugfix in summary generation when replicate is missing
#49
csecker
closed
1 year ago
0
Add GOLD scoring functions
#48
danieljbpark1
closed
7 months ago
2
Invalid directive found in batch script:
#47
Nagasundaram620
closed
8 months ago
2
Can VFVS can be used in the hydrated docking?
#46
TANGLi83-star
closed
8 months ago
1
Correct bucket location for job data
#45
mjkoop
closed
1 year ago
0
Add additional intermediate cleanup
#44
mjkoop
closed
1 year ago
0
Adding options to specify slurm account and slurm job submission timeout
#43
csecker
closed
1 year ago
1
Job Configuration/Memory Error
#42
JSanchez61
closed
8 months ago
2
Bash support (single node)
#41
mjkoop
closed
1 year ago
0
Sample template to allow Athena
#40
mjkoop
closed
1 year ago
0
Updating troubleshooting information
#39
mjkoop
closed
1 year ago
0
Update guidance on queues
#38
mjkoop
closed
1 year ago
0
Top results script and updated usability
#37
mjkoop
closed
1 year ago
0
Updating path for batch logs
#36
mjkoop
closed
1 year ago
0
Allow multiple ligands per docking program
#35
mjkoop
closed
1 year ago
0
Add S3 support for data collections in Slurm
#34
mjkoop
closed
1 year ago
0
Python develop
#33
akshat998
closed
1 year ago
0
Please offer the newest version tutorial
#32
TANGLi83-star
closed
1 year ago
1
How to deal with the “RuntimeError: Invalid VFVS_WORKUNIT and/or VFVS_WORKUNIT_SUBJOB” isssue
#31
TANGLi83-star
closed
8 months ago
1
Additional Docking softwares
#30
akshat998
closed
1 year ago
0
Minor doc chanches
#29
akshat998
closed
1 year ago
0
AVX512 optimized support
#28
mjkoop
closed
1 year ago
1
fix vcpu count
#27
mjkoop
closed
1 year ago
0
Update Slurm Configuration
#26
mjkoop
closed
1 year ago
0
Only include necessary files into docker image
#25
mjkoop
closed
1 year ago
0
Get top results with Athena
#24
mjkoop
closed
1 year ago
0
New Python version
#23
mjkoop
closed
1 year ago
0
addition of docking softwares
#22
akshat998
closed
1 year ago
1
debug several bugs
#21
freeenergylab
closed
1 year ago
0
Can the python-develop branch be used well now?
#20
freeenergylab
closed
1 year ago
2
How to use docking programs not in the choice list? (Autodock-GPU)
#19
To-phoenix-zhw
closed
8 months ago
3
Correct error with status check tool
#18
mjkoop
closed
2 years ago
0
Using VFVS without batch management system
#17
Phytoecia
closed
1 year ago
2
Sample CloudFormation Templates for AWS Batch
#16
mjkoop
closed
2 years ago
0
Updating documentation and sample templates
#15
mjkoop
closed
2 years ago
0
Python version of VFVS
#14
mjkoop
closed
2 years ago
1
'Value too great for base' error from one-queue.sh lines 183, 194, 969
#13
ahueb
closed
2 years ago
1
mkdir: cannot create directory '/zzumag03': Permission denied
#12
jxshi
closed
3 years ago
1
VirtualFlow Support for AWS Batch
#11
mjkoop
closed
3 years ago
0
Typo fix
#10
mjkoop
closed
3 years ago
0
AWS Batch & S3 Support
#9
mjkoop
closed
3 years ago
0
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