https://github.com/initqp/somd

Molecular dynamics package designed for the SIESTA DFT code.

aimd molecular-dynamics neuroevolution-potential siesta

Last synced: 04 May 2025

https://github.com/jcwang587/xdatbus

A Python package for enhancing VASP AIMD simulations and analysis

aimd metadynamics python vasp

Last synced: 16 Apr 2025

https://github.com/tongzhugroup/aimdfragmentation

A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).

aimd chemistry fragmentation python

Last synced: 04 May 2025

https://github.com/makasim/backpressure

aimd backpressure golang

Last synced: 13 May 2025

https://github.com/premnath-coder/sparc

🤖 Enhance your coding efficiency with SPARC, a command-line AI assistant that executes code, manages files, and visualizes architecture seamlessly.

aimd arm cpu-emulator dft-calculations disassembler easy-install electronic-structure finite-difference-method framework hpc matlab portable rapid-prototyping-framework riscv security structural-optimization tricore x86-64

Last synced: 15 May 2026