/tools/litmatter
litmatter
ncfrey/litmatter
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
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