Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
crates.io "molecular-dynamics" keyword
xdrfile 0.3.0
Wrapper around the gromacs libxdrfile library. Can be used to read and write gromacs trajectories...3 versions - Latest release: over 3 years ago - 1 dependent package - 1.55 thousand downloads total - 1 maintainer
xtcat 0.3.2
Fast XTC file concatenator4 versions - Latest release: 7 months ago - 1.25 thousand downloads total - 1 stars on GitHub - 1 maintainer
fips-md 0.3.0
A framework for simulating arbitrary particle dynamics1 version - Latest release: about 1 year ago - 362 downloads total - 1 maintainer
minitpr 0.1.1
Library for Reading Gromacs TPR Files2 versions - Latest release: 3 months ago - 1 dependent package - 718 downloads total - 0 stars on GitHub - 1 maintainer
lumol 0.0.0
Extensible molecular simulation engine1 version - Latest release: over 7 years ago - 1.18 thousand downloads total - 182 stars on GitHub - 1 maintainer
grafen 0.9.1
Create graphene and other substrates for use in molecular dynamics simulations.16 versions - Latest release: over 6 years ago - 10.3 thousand downloads total - 2 stars on GitHub - 1 maintainer
mbar-rs 0.3.0
Rust bindings for pymbar4 versions - Latest release: over 3 years ago - 2.11 thousand downloads total - 2 stars on GitHub - 1 maintainer
eightyseven 0.1.1
Read and write gro files, pretty quickly.2 versions - Latest release: 11 days ago - 0 downloads total - 1 maintainer
phrace 0.2.4
Terminal graph viewer for xvg files.6 versions - Latest release: 6 months ago - 1.68 thousand downloads total - 0 stars on GitHub - 1 maintainer
groan_rs 0.7.1
Gromacs Analysis Library for Rust15 versions - Latest release: 2 months ago - 1 dependent package - 4.18 thousand downloads total - 1 stars on GitHub - 1 maintainer
gcenter 1.3.0
Center Any Group in a Gromacs Trajectory8 versions - Latest release: 3 months ago - 2.13 thousand downloads total - 0 stars on GitHub - 1 maintainer
lammps-sys 0.6.0
Generates bindings to LAMMPS' C interface (with optional builds from source)4 versions - Latest release: over 4 years ago - 1 dependent repositories - 2.63 thousand downloads total - 5 stars on GitHub - 1 maintainer
velvet-convert
Convert external file formats into Velvet data structures.3 versions - Latest release: 17 days ago - 3 dependent packages - 917 downloads total - 10 stars on GitHub - 1 maintainer
molly 0.2.0-alpha
A fast reader for the xtc file format2 versions - Latest release: 17 days ago - 524 downloads total - 1 maintainer
openmm-sys 7.4.1
Rust bindings for the OpenMM toolkit for molecular simulation using high performance GPU code.2 versions - Latest release: over 3 years ago - 1 thousand downloads total - 2 stars on GitHub - 1 maintainer
velvet 0.4.2
Classical atomistic simulation engine with a focus on user-friendliness and extensibility9 versions - Latest release: over 3 years ago - 3.19 thousand downloads total - 10 stars on GitHub - 1 maintainer
velvet-core 0.4.2
Core feature library for the Velvet simulation engine.10 versions - Latest release: over 3 years ago - 4 dependent packages - 1 dependent repositories - 4.94 thousand downloads total - 10 stars on GitHub - 1 maintainer
velvet-external-data 0.1.0
Utilities to import and export external data formats.1 version - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 1.52 thousand downloads total - 10 stars on GitHub - 1 maintainer
velvet-cli 0.1.2
Command line tool built on top of the Velvet API3 versions - Latest release: over 3 years ago - 1.14 thousand downloads total - 10 stars on GitHub - 1 maintainer
wham 1.1.4
An implementation of the weighted histogram analysis method15 versions - Latest release: 7 months ago - 6.7 thousand downloads total - 19 stars on GitHub - 1 maintainer
trajan 0.1.0
A library for analysing molecular dynamics trajectories. Currently in pre-alpha stage.1 version - Latest release: over 5 years ago - 1 dependent repositories - 2.58 thousand downloads total - 0 stars on GitHub - 1 maintainer
Related Keywords
gromacs
9
simulation
8
physics
6
computational-chemistry
6
chemistry
6
atomistic-simulation-engine
5
materials-science
5
molecular-simulation
2
xtc
2
trajectory
2
bioinformatics
2
analysis
1
dynamics
1
science
1
trajectory-analysis
1
molecular
1
statistics
1
math
1
histogram
1
materials
1
ffi
1
rust
1
cli
1
grace
1
xvg
1
plotting
1
gro
1
mbar
1
stat-mech
1
python
1
substrates
1
monte-carlo
1
atomistic-simulations
1
computational
1
tpr
1
simulations
1