/tools/schnetpack-gschnet
schnetpack-gschnet
atomistic-machine-learning/schnetpack-gschnet
64 stars11 forksPythonAdded February 8, 2026
summary
The schnetpack-gschnet repository provides an extension for generating 3D molecular structures using a conditional generative neural network. It allows for targeted molecule generation by conditioning on chemical and structural properties, making it a valuable tool for molecular design.
description
G-SchNet extension for SchNetPack
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