MDAnalysis
An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromac...
Latest release 0.20.1 - Updated - 336 stars
mbuild
mBuild: A hierarchical, component based molecule builder
Latest release 0.10.1 - Updated - 68 stars
MDAnalysisTests
MDAnalysis testsuite
Latest release 0.19.2 - Updated - 336 stars
torchani
PyTorch implementation of ANI
Latest release 0.9 - Updated - 88 stars
foyer
Foyer: Atomtyping and forcefield applying.
Latest release 0.6.2 - Updated - 26 stars
AdaptivePELE
Enhanced sampling of molecular simulations
Latest release 1.6.2 - Updated - 4 stars
moleculekit
A molecule reading/writing and manipulation package.
Latest release 0.1.24 - Updated - 9 stars
lumol
Extensible molecular simulation engine
Latest release 0.0.0 - Published - 59 stars
@byu-oit/node-postgres-query-builder
Quickly build postgresql queries
Latest release 1.4.1 - Updated
fis-parser-type-script
A parser plugin for fis to compile typescript.
Latest release 0.0.4 - Updated
TensorMol
TensorFlow+Molecules = TensorMol
Latest release 0.1 - Published - 75 stars
physical-validation
Physical validation of molecular simulation results
Latest release 1.0.0rc7 - Updated
math_example_rtingle1_2016
An example of creating a package
Latest release 1.0.0 - Published
math_example08
An example of creating a package
Latest release 0.0.1 - Updated
hamleemodule
A package manager for node
Latest release 0.0.2 - Updated
@byu-oit/node-mysql-query-builder
Quickly build MySQL queries
Latest release 0.4.1 - Updated
global-data-manager
Save project-global variables in one location, manage and access them anywhere
Latest release - Published
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