"chemistry" Awesome Lists
awesome-python-chemistry
A curated list of Python packages related to chemistry
atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation
1,039 stars
200 forks
149 projects
Last updated: 29 May 2024
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome awesome-list bioinformatics cheminformatics chemistry
743 stars
119 forks
108 projects
Last updated: 07 Apr 2025
awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
ab-initio atomistic-simulations awesome awesome-list chemistry computational-materials computational-materials-engineering crystal-structure crystallography data-science
344 stars
82 forks
126 projects
Last updated: 19 May 2024
awesome-chemistry-datasets
overview of datasets for ML in chemistry
ai awesome chemistry data hacktoberfest machine-learning molecules
315 stars
33 forks
81 projects
Last updated: 15 Apr 2025
awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
awesome awesome-list chemical-engineering cheminformatics cheminformatics-and-compchem chemistry education python-chemistry
144 stars
16 forks
85 projects
Last updated: 07 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
awesome-ai4chem
Awesome AI for chemistry papers
ai-for-science chemistry deep-learning machine-learning neural-network reinforcement-learning
28 stars
3 forks
85 projects
Last updated: 07 Apr 2025
awesome-chemical-data
Curated list of known efforts in collecting and/or curating of chemical/materials data
awesome-lists chemistry data data-curation data-schema materials-science ontology
21 stars
1 forks
47 projects
Last updated: 27 Jan 2025