molecular-dynamics

9 projetos partilham este topic do GitHub

Linhas conectam membros que estão mensuravelmente relacionados entre si. O tamanho do ponto reflete estrelas.

🧬 Membros

Public development project of the LAMMPS MD software package

A deep learning package for many-body potential energy representation and molecular dynamics

OpenMM is a toolkit for molecular simulation using high performance GPU code.

awesome-python-chemistry

A curated list of Python packages related to chemistry

Graphics Processing Units Molecular Dynamics

pyiron - an integrated development environment (IDE) for computational materials science.

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

Packmol - Initial configurations for molecular dynamics simulations

lammps-input-files

LAMMPS inputs and data files

🔗 Familias relacionadas

lammps 4 cuda 90 gpu 93 jax 60 materials-science 5 rocm 13 chemistry 4 quantum-chemistry 5

Medido a partir dos tópicos do GitHub compartilhados por ambos os projetos, ponderado pela raridade de cada tópico.