Stars
User-friendly AI Interface (Supports Ollama, OpenAI API, ...)
♞ lichess.org: the forever free, adless and open source chess server ♞
📚 Parameterize, execute, and analyze notebooks
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Tinker: Software Tools for Molecular Design
Semiempirical Extended Tight-Binding Program Package
Trusted force field files for gromacs
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…
Python package for compiling and analyzing quantum algorithms to simulate electronic structures.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
A PyMOL plugin for visualizing vibrations in molecules and solids
The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.
Official QEMU mirror. Please see https://www.qemu.org/contribute/ for how to submit changes to QEMU. Pull Requests are disabled. Please only use release tarballs from the QEMU website.
std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)
RNA vaccines have become a key tool in moving forward through the challenges raised both in the current pandemic and in numerous other public health and medical challenges. With the rollout of vacc…