giacomo-janson / idpsam
Generate intrinsically disordered peptide conformations via machine learning
☆20Updated 11 months ago
Alternatives and similar repositories for idpsam
Users that are interested in idpsam are comparing it to the libraries listed below
Sorting:
- Convert coarse-grained protein structure to all-atom model☆38Updated 10 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆46Updated this week
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆7Updated last month
- ☆68Updated 10 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- ☆49Updated last month
- IDPFold test version☆19Updated 8 months ago
- ☆24Updated 2 weeks ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated last month
- ☆37Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- ☆23Updated last year
- Fast, accurate, and deterministic protein side-chain packing☆30Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 3 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 8 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆44Updated last week
- ☆28Updated last year
- ☆13Updated 3 weeks ago
- An open-source platform for developing protein models beyond AlphaFold.☆11Updated last month
- ☆16Updated last month
- GPU-accelerated molecular docking software: Uni-Dock 2☆23Updated this week
- A Python package to generate free energy landscape (FEL) of molecular dynamics (MD) trajectory obtained from GROMACS. It also extracts th…☆11Updated last month
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆42Updated 5 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated 3 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆32Updated last month
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated last week
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆57Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆45Updated last month
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆23Updated last week