crates.io "molecular-dynamics" keyword
View the packages on the crates.io package registry that are tagged with the "molecular-dynamics" keyword.
velvet-convert
Convert external file formats into Velvet data structures.3 versions - Latest release: 2 days ago - 3 dependent packages - 3.07 thousand downloads total - 10 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 4 years ago - 11.1 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 4 years ago - 2 dependent packages - 1 dependent repositories - 2.74 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 4 years ago - 3.59 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 4 years ago - 4 dependent packages - 1 dependent repositories - 12.9 thousand downloads total - 10 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: almost 6 years ago - 1 dependent repositories - 7.27 thousand downloads total - 5 stars on GitHub - 1 maintainer
molly 0.4.0
A fast reader for the xtc file format10 versions - Latest release: 4 months ago - 10.8 thousand downloads total - 1 maintainer
molar_membrane 0.9.3
Molar membrane toolkit3 versions - Latest release: 3 months ago - 1.43 thousand downloads total - 32 stars on GitHub - 1 maintainer
molar_python 0.9.3
python bindings for molar7 versions - Latest release: 3 months ago - 3.25 thousand downloads total - 32 stars on GitHub - 1 maintainer
molar_bin 0.9.0
Molar main binary7 versions - Latest release: 3 months ago - 4.53 thousand downloads total - 32 stars on GitHub - 1 maintainer
molar_xdrfile 0.9.0
xdrfile FFI bindings for molar6 versions - Latest release: 3 months ago - 1 dependent package - 5.55 thousand downloads total - 4 stars on GitHub - 1 maintainer
molar 0.9.3
Molar is a rust library for analysis of MD trajectories and molecular modeling18 versions - Latest release: 3 months ago - 17.7 thousand downloads total - 4 stars on GitHub - 1 maintainer
molar_powersasa 0.9.3
powersasa FFI bindings for molar11 versions - Latest release: 3 months ago - 1 dependent package - 10.1 thousand downloads total - 4 stars on GitHub - 1 maintainer
gcenter 2.0.0
Center Any Group in a Gromacs Trajectory10 versions - Latest release: 7 months ago - 11.6 thousand downloads total - 0 stars on GitHub - 1 maintainer
xdrfile 0.3.0
Wrapper around the gromacs libxdrfile library. Can be used to read and write gromacs trajectories...3 versions - Latest release: over 4 years ago - 1 dependent package - 4.19 thousand downloads total - 1 maintainer
minitpr 0.2.3
Library for Reading Gromacs TPR Files6 versions - Latest release: 2 months ago - 1 dependent package - 6.37 thousand downloads total - 3 stars on GitHub - 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: almost 5 years ago - 2.93 thousand downloads total - 3 stars on GitHub - 1 maintainer
eightyseven 0.1.5
Read and write gro files, pretty quickly.6 versions - Latest release: 6 months ago - 6 thousand downloads total - 1 maintainer
phrace 0.2.4
Terminal graph viewer for xvg files.6 versions - Latest release: over 1 year ago - 8.03 thousand downloads total - 0 stars on GitHub - 1 maintainer
gorder 1.0.0
Calculating lipid order parameters from Gromacs simulations9 versions - Latest release: about 2 months ago - 4.56 thousand downloads total - 4 stars on GitHub - 1 maintainer
xtcat 0.3.2
Fast XTC file concatenator4 versions - Latest release: almost 2 years ago - 4.54 thousand downloads total - 1 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 6 years ago - 1 dependent repositories - 3.93 thousand downloads total - 1 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 7 years ago - 22.6 thousand downloads total - 2 stars on GitHub - 1 maintainer
fips-md 0.3.0
A framework for simulating arbitrary particle dynamics1 version - Latest release: over 2 years ago - 1.31 thousand downloads total - 1 maintainer
groan_rs 0.10.0
Gromacs Analysis Library for Rust28 versions - Latest release: about 2 months ago - 1 dependent package - 26.7 thousand downloads total - 2 stars on GitHub - 1 maintainer
wham 1.1.4
An implementation of the weighted histogram analysis method15 versions - Latest release: almost 2 years ago - 19.9 thousand downloads total - 27 stars on GitHub - 1 maintainer
mbar-rs 0.3.0
Rust bindings for pymbar4 versions - Latest release: almost 5 years ago - 5.42 thousand downloads total - 2 stars on GitHub - 1 maintainer
lumol 0.0.0
Extensible molecular simulation engine1 version - Latest release: over 8 years ago - 2.13 thousand downloads total - 198 stars on GitHub - 1 maintainer
groslicer 0.1.2
Slice gro files by processing a stream of lines1 version - Latest release: about 1 year ago - 1.03 thousand downloads total - 1 maintainer
Related Keywords
gromacs
11
simulation
8
trajectory
8
trajectory-analysis
7
science
7
chemistry
6
computational-chemistry
6
physics
6
molecular-modeling
6
md
6
modeling
6
molecular-dynamics-simulation
6
atomistic-simulation-engine
5
materials-science
5
molecular-dynamics-analysis
3
molecular-simulation
2
gro
2
bioinformatics
2
analysis
2
xtc
2
monte-carlo
1
atomistic-simulations
1
computational
1
stat-mech
1
mbar
1
python
1
histogram
1
math
1
statistics
1
substrates
1
molecular
1
dynamics
1
order-parameters
1
membranes
1
ffi
1
order
1
nmr
1
lipids
1
rust
1
cli
1
plotting
1
xvg
1
grace
1
materials
1
tpr
1
simulations
1
centering
1