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72

327

mit

6

Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).

iclr iclr2022 molecule conformation score-matching diffusion-models generative-models computational-biology graph-neural-networks computational-chemistry

Created 2022-02-12

7 commits to main branch, last one about a year ago

17

51

unknown

3

An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)

vae pytorch molecule icml-2021 conformation generative-models bilevel-optimization computational-biology graph-neural-networks computational-chemistry

Created 2021-05-28

4 commits to main branch, last one 3 years ago

16

45

unknown

4

:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)

iclr pytorch iclr2021 molecule conformer conformation conformation-generation

Created 2021-02-04

16 commits to master branch, last one 3 years ago

3

31

mit

4

A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23

sde geometry molecule diffusion generation pretraining conformation representation reflection-antisymmetric group-equivariant-neural-network stochastic-differential-equation

Created 2023-04-24

6 commits to main branch, last one 7 months ago