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The Open Free Energy toolkit
Created
2022-01-24
2,746 commits to main branch, last one a day ago
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
Created
2020-06-29
2,443 commits to master branch, last one 6 days ago
Software for biomolecular electrostatics and solvation calculations
Created
2020-07-03
1,416 commits to main branch, last one 3 months ago
PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
Created
2020-05-22
977 commits to master branch, last one 15 days ago
Differentiable neuron simulations with biophysical detail on CPU, GPU, or TPU.
Created
2023-03-17
804 commits to main branch, last one 3 days ago
A Python platform for Structural Bioinformatics
Created
2016-04-06
1,380 commits to master branch, last one 10 months ago
Analysis of non-covalent interactions in MD trajectories
Created
2016-04-15
512 commits to develop branch, last one about a year ago
a package to simulate fluid surfaces and biomembranes
Created
2023-01-27
116 commits to master branch, last one 15 days ago