https://hachmannlab.github.io/chemml/

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
https://hachmannlab.github.io/chemml/

data-science deep-learning drug-discovery machine-learning materials-informatics quantum-mechanics

Last synced: 3 months ago
JSON representation

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

• Host: GitHub
• URL: https://hachmannlab.github.io/chemml/
• Owner: hachmannlab
• License: bsd-3-clause
• Created: 2017-12-07T04:48:18.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2025-11-20T17:01:29.000Z (3 months ago)
• Last Synced: 2025-11-20T19:04:47.158Z (3 months ago)
• Topics: data-science, deep-learning, drug-discovery, machine-learning, materials-informatics, quantum-mechanics
• Language: Python
• Homepage: https://hachmannlab.github.io/chemml
• Size: 94.1 MB
• Stars: 171
• Watchers: 12
• Forks: 33
• Open Issues: 7
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

• awesome-python-chemistry - chemml - A machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (Machine Learning)