/tools/litmatter

litmatter

ncfrey/litmatter

75 stars17 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

LitMatter is a template designed for rapid experimentation and scaling of deep learning models on molecular and crystal graphs. It supports various applications in drug discovery and molecular dynamics, allowing researchers to efficiently train models for predicting molecular properties and simulating molecular interactions.

description

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

topics

machine-learningdeep-learninggeometric-deep-learningcomputational-chemistrymolecular-dynamicsmaterials-sciencedrug-discoveryneural-architecture-search

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!