huhlim / cg2allLinks
Convert coarse-grained protein structure to all-atom model
☆41Updated 2 months ago
Alternatives and similar repositories for cg2all
Users that are interested in cg2all are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last month
- ☆68Updated last year
- ☆41Updated last year
- Generate intrinsically disordered peptide conformations via machine learning☆23Updated last year
- A benchmark for 3D biomolecular structure prediction models☆63Updated 2 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆51Updated 3 months ago
- ☆32Updated 2 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆63Updated 2 months ago
- Benchmarking code accompanying the release of `bioemu`☆39Updated 3 weeks ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 4 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 5 months ago
- ☆28Updated last year
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆28Updated 3 years ago
- ☆49Updated 2 weeks ago
- IDPFold test version☆21Updated 10 months ago
- ☆33Updated 9 months ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆31Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- Fast, accurate, and deterministic protein side-chain packing☆33Updated 5 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- DLPacker☆31Updated 11 months ago
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆76Updated 3 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆83Updated last week
- ☆78Updated last year
- ☆33Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 6 months ago
- The public versio☆61Updated 2 years ago
- PoseX: A Molecular Docking Benchmark☆47Updated last month