Lists (15)
AI/ML
11 repositories
cheminformatics
6 repositories
Cross platform desktops app builder
5 repositories
felion_gui
FELIX spectrum analyser for FELion instrument5 repositories
FTPs
1 repository
IFGs
identify functional groups from smiles string2 repositories
ML astrochemistry
1 repository
ML properties predictions
Ml models for predicting molecular properties12 repositories
Starred repositories
2
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written in Cuda
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A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.