gasteigerjo/dimenet
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)
PythonNOASSERTION
Stargazers
- abhshkdzFAIR, Meta AI
- akirasosaJapan
- AmmieQi
- AnirudhDagar@aws @autogluon @d2l-ai
- Ankit-DhankharIndian Institute of Technology Roorkee
- anupammeUniversity of Edinburgh
- balcilarInterDigital, Inc.
- bs3537DataFlynk.Ai
- chrsmrrsRWTH Aachen University
- CODE-SUBMIT
- erbas
- fducau
- fly51flyPRIS
- Frank-LIU-520Nanjing University
- handhand123
- huanglianghuaAlibaba DAMO Academy
- hushell
- isjakewong
- Jhy1993Ph.D.@BUPT
- LifengFanBIGAI
- lzrobotsFudan University
- MazzzaGMUM/Ardigen
- mufeiliAWS AI Lab Shanghai
- neojie
- peterbjorgensen
- shanemankiw
- shuix007University of Minnesota
- silent567
- smcantabNew York University
- songgcPlayground Global
- soupwaylee@spotify
- szl666Lamar University
- thu-wangz17Beijing, China
- zetayueWeill Cornell Medicine & City University of New York
- zhouchunpong
- zrqiaoIambic Therapeutics