Projects in Awesome Lists tagged with conformation
A curated list of projects in awesome lists tagged with conformation .
https://github.com/MinkaiXu/GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
computational-biology computational-chemistry conformation diffusion-models generative-models graph-neural-networks iclr iclr2022 molecule score-matching
Last synced: 21 Jul 2025
https://github.com/minkaixu/geodiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
computational-biology computational-chemistry conformation diffusion-models generative-models graph-neural-networks iclr iclr2022 molecule score-matching
Last synced: 06 Apr 2025
https://github.com/minkaixu/confvae-icml21
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
bilevel-optimization computational-biology computational-chemistry conformation generative-models graph-neural-networks icml-2021 molecule pytorch vae
Last synced: 23 Oct 2025
https://github.com/MinkaiXu/ConfVAE-ICML21
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
bilevel-optimization computational-biology computational-chemistry conformation generative-models graph-neural-networks icml-2021 molecule pytorch vae
Last synced: 21 Jul 2025
https://github.com/minkaixu/cgcf-confgen
:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
conformation conformation-generation conformer iclr iclr2021 molecule pytorch
Last synced: 23 Oct 2025
https://github.com/chao1224/moleculesde
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
conformation diffusion generation geometry group-equivariant-neural-network molecule pretraining reflection-antisymmetric representation sde stochastic-differential-equation
Last synced: 03 Jul 2025
https://github.com/jenskrumsieck/porphystruct
Structural Analysis of Porphyrinoids & Corrinoids
chemistry chemsharp conformation conformational-analysis coordination-chemistry corrinoids corrole csharp helix-toolkit macrocycle macrocycles-conformational-search nsd oxyplot porphyrinoids porphystruct simulation tetrapyrroles tu-braunschweig xray-crystallography
Last synced: 08 Oct 2025
https://github.com/changhuixu/prevent-from-leaving
Angular prevent from leaving page
alert angular close-tab conformation guard route
Last synced: 26 Apr 2026
https://github.com/jenskrumsieck/tauxplore
Calculate τ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.
chemistry chemsharp conformation conformational-analysis coordination-chemistry csharp helix-toolkit tau xray-crystallography
Last synced: 03 Jul 2026
https://github.com/jenskrumsieck/porphystruct-scripts
This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎
chemistry conformation conformational-analysis coordination-chemistry crystallography macrocycles macrocycles-conformational-search nsd porphystruct python
Last synced: 15 May 2026