huhlim / cg2allLinks
Convert coarse-grained protein structure to all-atom model
☆47Updated 6 months ago
Alternatives and similar repositories for cg2all
Users that are interested in cg2all are comparing it to the libraries listed below
Sorting:
- ☆69Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- ☆42Updated last year
- ☆19Updated 8 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆24Updated last year
- Benchmarking code accompanying the release of `bioemu`☆51Updated last month
- ☆32Updated 2 years ago
- The public versio☆75Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆63Updated last month
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated this week
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆32Updated 3 years ago
- ☆32Updated 2 years ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- ☆34Updated last year
- Force Fields☆66Updated 11 months ago
- ☆79Updated 2 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 10 months ago
- ☆56Updated 9 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆39Updated 2 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated 3 weeks ago
- ☆37Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆54Updated 4 months ago
- ☆63Updated 2 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 7 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆89Updated 5 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- ☆89Updated last year
- Integrated physics-based and ligand-based modeling.☆68Updated 2 months ago