jenniening deltaVinaXGB issues - Githubissues

jenniening / deltaVinaXGB

This is a machine-learning based protein-ligand scoring function.

https://www.nyu.edu/projects/yzhang/DeltaVina/

GNU General Public License v3.0

49 stars 14 forks source link

issues

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Structure Input files from flexible docking

#16 abigailraemiller opened 2 months ago
0
test run error

#15 kaiweiii opened 2 months ago
0
getting deltavinaXGB negative values

#14 mglgc opened 7 months ago
0
Error with option --runrf running deltaVinaXGB docker image

#13 mglgc opened 1 year ago
0
docker delta-vina-xgb image fails running

#12 mglgc opened 1 year ago
0
Error building deltaVinaXGB docker image

#11 mglgc opened 1 year ago
1
Failures when I tried running Test_2al5

#10 gaoshan2006 closed 2 years ago
2
changes made to VINA source code

#9 linminhtoo opened 2 years ago
0
about calculating XGBscore

#8 hfhfgo closed 2 years ago
1
issue with running the test command: "python run_DXGB.py --help"

#7 Sinsilcobio closed 3 years ago
11
docker image converted to singularity test failure

#6 truatpasteurdotfr closed 3 years ago
2
ubuntu 16.04 EOL'ed, minor cleanup

#5 truatpasteurdotfr closed 3 years ago
3
No such file or directory: 'score_v1.txt' when running tutorial provided commands

#4 yanz-24 closed 3 years ago
13
Vina: segmentation fault (core dumped)

#3 hypnopump closed 4 years ago
5
Docker functionality

#2 nikosep closed 4 years ago
0
[Feature Request] Training Procedure

#1 nanton96 closed 4 years ago
1