"quantum-chemistry" Awesome Lists
awesome-quantum-software
Curated list of open-source quantum software projects.
compilers quantum-algorithms quantum-annealing quantum-assembly quantum-chemistry quantum-circuit-simulator quantum-circuits quantum-compiler quantum-computer quantum-computer-simulator
1,653 stars
342 forks
293 projects
Last updated: 24 Apr 2025
awesome-python-chemistry
A curated list of Python packages related to chemistry
atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation
1,220 stars
220 forks
149 projects
Last updated: 28 Apr 2025
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
ai4science atomistic-machine-learning awesome-list best-of-list computational-chemistry computational-materials-science condensed-matter density-functional-theory drug-discovery electronic-structure
469 stars
41 forks
376 projects
Last updated: 11 Apr 2025
awesome-structural-bioinformatics
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
alphafold awesome-list bioinformatics bioinformatics-analysis bioinformatics-pipeline biology cheminformatics chemistry deep-learning docking
70 stars
10 forks
173 projects
Last updated: 06 Mar 2025