Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "force field" keyword
Top 9.9% on pypi.org
21 versions - Latest release: about 1 month ago - 2 dependent packages - 3 dependent repositories - 7.13 thousand downloads last month - 10 stars on GitHub - 1 maintainer
potentials 0.3.8
API database tools for accessing the NIST Interatomic Potentials Repository: explore and download...21 versions - Latest release: about 1 month ago - 2 dependent packages - 3 dependent repositories - 7.13 thousand downloads last month - 10 stars on GitHub - 1 maintainer
swarm-cg 1.2.5
Tools for automatic parametrization of bonded terms in coarse-grained molecular models, with resp...24 versions - Latest release: about 3 years ago - 1 dependent repositories - 199 downloads last month - 37 stars on GitHub - 1 maintainer
Top 5.4% on pypi.org
28 versions - Latest release: 20 days ago - 9 dependent packages - 2 dependent repositories - 23.3 thousand downloads last month - 215 stars on GitHub - 1 maintainer
matgl 1.1.1
MatGL is a framework for graph deep learning for materials science.28 versions - Latest release: 20 days ago - 9 dependent packages - 2 dependent repositories - 23.3 thousand downloads last month - 215 stars on GitHub - 1 maintainer
m3gnet 0.2.4
Materials Graph with Three-body Interactions16 versions - Latest release: over 1 year ago - 5 dependent packages - 1 dependent repositories - 807 downloads last month - 208 stars on GitHub - 2 maintainers
matcalc 0.0.4
Calculators for materials properties from the potential energy surface.4 versions - Latest release: 5 months ago - 2 dependent packages - 1 dependent repositories - 1.69 thousand downloads last month - 41 stars on GitHub - 1 maintainer
mdforce 0.0.0
MDForce is a package to calculate the force field, potential energy and related data in molecular...1 version - Latest release: over 2 years ago - 1 dependent repositories - 5 downloads last month - 1 stars on GitHub - 1 maintainer
mdgo 0.2.4
A codebase for MD simulation setup and results analysis.4 versions - Latest release: over 2 years ago - 1 dependent repositories - 37 downloads last month - 18 stars on GitHub - 1 maintainer
Related Keywords
materials
4
interatomic potential
4
science
4
learning
3
graph
3
machine
2
materials-science
2
Molecular dynamics
2
deep
2
deep learning
2
machine learning
2
AI
2
property prediction
2
molecular-dynamics
2
pes
1
neural-network
1
machine-learning
1
deep-learning
1
properties
1
MD
1
MD simulation
1
potential energy
1
LAMMPS
1
Gromacs
1
liquid
1
charge
1
solvation
1
diffusion
1
transport
1
conductivity
1
molecular-dynamics-simulation
1
web-scrapper
1
atom
1
atomic
1
atomistic
1
molecular dynamics
1
gromacs
1
coarse-grain
1
molecular model
1
optimization
1
bonded-parameters
1
bonded-terms
1
cg-model
1
coarse-grained
1
coarse-graining
1
molecular-modeling
1
optimization-tools
1
swarm-cg
1
materials-informatics
1
networks
1
neural
1