4 results found Sort:

MinkaiXu
GeoDiff MinkaiXu
67
314
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
MinkaiXu
ConfVAE-ICML21 MinkaiXu
16
50
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 2 years ago
MinkaiXu
CGCF-ConfGen MinkaiXu
16
44
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 2 years ago
chao1224
MoleculeSDE chao1224
2
29
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 2 months ago