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Top 3 molecular open source projects

The Aquarium Lab Operating System

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ruby javascript HTML CSS SCSS shell Dockerfile biology lims lab molecular protocols

3D molecular fingerprints

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python cheminformatics fingerprint molecular 3d e3fp

Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]

✭ 61

python shell knowledge-graph molecular mpnn-model

1-3 of 3 molecular projects