openff-qcsubmit
|
public |
No Summary
|
2023-06-16 |
propertyestimator
|
public |
No Summary
|
2023-06-16 |
perses
|
public |
Experiments with expanded ensemble simulation to explore chemical and mutational space
|
2023-06-16 |
openforcefield
|
public |
No Summary
|
2023-06-16 |
nglview
|
public |
IPython widget to interactively view molecular structures and trajectories.
|
2023-06-16 |
openpathsampling-dev
|
None |
OpenPathSampling: A python package to do path sampling simulations
|
2023-06-16 |
openmm
|
None |
A high performance toolkit for molecular simulation.
|
2023-06-16 |
msmbuilder
|
None |
MSMBuilder: Statistical models for biomolecular dynamics
|
2023-06-16 |
mdtraj
|
None |
A modern, open library for the analysis of molecular dynamics trajectories
|
2023-06-16 |
pdbfixer
|
None |
PDBFixer fixes problems in PDB files to prepare them for molecular simulation.
|
2023-06-16 |
fftw3f
|
None |
The fastest Fourier transform in the west.
|
2023-06-16 |