Stars
Official repository for the Boltz biomolecular interaction models
The architector python package - for 3D metal complex design. C22085
Repository for the CIML 2025 Summer Institute training materials.
Tutorials and programming exercises for learning Q# and quantum computing
A GPU library for high-throughput evaluation of the Boys function
Periodic table, physical constants, and molecule parsing for quantum chemistry.
ORB forcefield models from Orbital Materials
Amateurish molecular electronic structure program.(for linux)
DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also includes programs to analyze the topology of ρ. More information can…
sources for the Singular computer algebra system
andyj10224 / psi4
Forked from psi4/psi4Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),
Modern C++ Programming Course (C++03/11/14/17/20/23/26)
moritzgubler / mrchem
Forked from MRChemSoft/mrchemMultiResolution Chemistry
The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.
Gotcha GPT ensures the integrity of academic writing in universities and publishing houses due to advances in Artificial Intelligence (AI). It discriminates AI- and human-generated manuscripts (Eng…
Distributed system for scaling quantum chemistry computations
🖥 📊 🕹 🛠 A curated list of command line apps
Collection of cloud-based biomedical data science learning modules funded by the National Institute of General Medical Sciences at the NIH
Fabric is an open-source framework for augmenting humans using AI. It provides a modular system for solving specific problems using a crowdsourced set of AI prompts that can be used anywhere.
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
C-library for calculating Solvent Accessible Surface Areas