- π Hi, Iβm @Jianmin Wang(ηε»Ίζ°)
- π Iβm interested in drug discovery and development, data science, artificial intelligence, etc.
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aspirincode / dimenet Goto Github PK
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DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
Home Page: https://www.daml.in.tum.de/dimenet
License: Other