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microsoft
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AI2BMD
AI-powered ab initio biomolecular dynamics simulation
MIT License
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Saving only protein trajectory
#32
viplovearora
opened
1 hour ago
0
'Broken pipe' and error out after 300ps of production run
#31
Ruibin-Liu
opened
4 hours ago
1
Could you please provide an example of Drug Prediction ?
#30
TH1052638958
opened
20 hours ago
1
Protein File Preparation and Misaligned
#29
DaHenz
closed
1 day ago
3
Could you please provide the input files and tutorial of pKa calculation for Asp26 of thioredoxin ?
#28
Frank-LIU-520
closed
1 hour ago
1
Simulation pause at about 80-100 step for chignolin
#27
Frank-LIU-520
closed
1 hour ago
5
Pre-equilibration stage is extremely slow
#26
zhachao2010
closed
3 days ago
3
[Errno 32] Broken pipe, while trying to run chignolin demo
#25
AugMark
closed
3 days ago
5
singularity
#24
gaoxiangcao
opened
6 days ago
3
Provide environment file or docker container to install and run ViSNet?
#23
sarmaier
closed
1 week ago
2
README: `pip` won't allow installing `pytorch-lightning==1.8.0`
#22
nicoladmSB
closed
1 week ago
1
protein with ligand
#21
Jinhui-Feng
closed
1 week ago
1
Can this program be run without Docker in a non-root user environment?
#20
CellLz
closed
6 days ago
1
Question about how to train the machine learning potential for AI2BMD
#19
zengdashi
closed
6 days ago
4
Where can we get the original trajectory of the pdbs in article "https://www.nature.com/articles/s41586-024-08127-z#data-availability"
#18
Eipgen
closed
6 days ago
1
It's a perfect job, but I wonder if the system can be used for protein-ligand complex systems, which are not mentioned in the paper.
#17
noah123-debug
closed
6 days ago
1
IndexError: list index out of range
#16
tony9664
closed
2 weeks ago
2
Conda installation
#15
LiuSantu123
closed
2 weeks ago
1
NMR Hydrogen Coupling
#14
SongXia-NYU
closed
2 weeks ago
1
ai2bmd demo
#13
ElwynWang
closed
2 weeks ago
0
您一篇论文里的MuKDC代码仓库可以上传一下吗，现在链接失效了
#12
lssshuang
closed
2 weeks ago
1
train process issue
#11
lingcon01
closed
2 weeks ago
1
failed to build an environment to run the geoformer model
#9
LengyanReader
closed
2 weeks ago
1
Results Reproduction
#8
ShihaoShao-GH
closed
11 months ago
3
About pretrained models
#7
Guackkk
closed
2 weeks ago
3
This repo is missing important files
#6
microsoft-github-policy-service[bot]
closed
1 year ago
0
Adding Microsoft SECURITY.MD
#5
microsoft-github-policy-service[bot]
closed
1 year ago
0
this repo contains the MD17 and MD22 training details?
#4
Eipgen
closed
1 year ago
2
Retrain teacher model of Pretrained 3D ViSNet
#3
CValse
closed
1 year ago
4
The performance of Pretrained-3D-ViSNet
#2
PierreHao
closed
1 year ago
5
Create codeql-scan.yml
#1
ElwynWang
closed
2 years ago
0