conformation
There are 15 repositories under conformation topic.
MinkaiXu/GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
MinkaiXu/ConfVAE-ICML21
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
MinkaiXu/CGCF-ConfGen
:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
chao1224/MoleculeSDE
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
JosePereiraUA/rosetta-scripts
Some Rosetta Scripts that allow for various simple tasks
JensKrumsieck/PorphyStruct
Structural Analysis of Porphyrinoids & Corrinoids
opakarin/lich-test
lich-test is an analysis tool for ice conformation classification.
GeoRouv/RMSD
📐 Implementation of the c-RMSD and d-RMSD algorithms
polly-code/DPDchrom
Reconstruction of 3D conformation of chromatin fiber using single cell Hi-C data
ChristinaAndrinopoyloy/Algorithms_in_Structural_Biology
2 homeworks for "Algorithms in Structural Biology" Master course of Data Science and Information Technologies (DSIT)
changhuixu/prevent-from-leaving
Angular prevent from leaving page
JensKrumsieck/porphystruct-scripts
This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎
Pharmacelera/Query-models-to-3DLBVS
Data set (DUDE+ Diverse) and scripts from the article: On the relevance of query definition in the performance of 3D ligand-based virtual screening
JensKrumsieck/TauXplore
Calculate τ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.
MelroLeandro/Protein-periodicity
A coarse grained circular statistical tool that allows us to estimate the role of local and nonlocal factors in determining both the secondary and tertiary structure of globular proteins.