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uibcdf
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BiFrEE
First steps of an open library to estimate binding free energies with the MM/GBSA approach and OpenMM.
https://www.uibcdf.org/BiFrEE
MIT License
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PBSA implementation
#15
dprada
opened
2 years ago
6
Let's work with forks and branches
#14
dprada
opened
2 years ago
0
Learn how projects work in GitHub
#13
dprada
opened
2 years ago
0
Adding a new notebook in playground to prepare barnase-barstar with MolSysMT
#12
dprada
closed
2 years ago
0
Change order in contributor's list
#11
cramg
closed
2 years ago
0
Adding Pint to requirements
#10
dprada
closed
2 years ago
1
Hay un problema con A
#9
dprada
closed
3 years ago
1
What would be the way to set the versions numbering?
#3
dprada
closed
3 years ago
2
setuptools or numpy.distutils for the setup.py file?
#2
dprada
closed
3 years ago
4
Should we use the MOLSSI Cookie-cutter?
#1
dprada
closed
3 years ago
1