Molecular Dynamics
3 projects
Showing 3 of 3 projects
JAX, M.D.Jupyter Notebook
A differentiable, hardware-accelerated molecular dynamics simulation framework built on JAX for computational physics and materials science.
#scientific-computing#simulation#jax
Stars1.4k
Forks239
Last commit7 days ago
awesome-python-chemistry
A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.
#scientific-computing#cheminformatics#simulation
Stars1.4k
Forks228
Last commit7 months ago
MDTrajPython
A Python library for reading, writing, and analyzing molecular dynamics trajectories with support for numerous file formats.
#scientific-computing#python-library#trajectory-analysis
Stars715
Forks290
Last commit6 days ago
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