giacomo-janson / idpsamLinks
Generate intrinsically disordered peptide conformations via machine learning
☆23Updated last year
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☆44Updated 4 months ago
- ☆69Updated last year
- ☆42Updated last year
- Benchmarking code accompanying the release of `bioemu`☆45Updated 3 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 months ago
- ☆57Updated 2 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆121Updated 3 months ago
- A benchmark for 3D biomolecular structure prediction models☆66Updated 5 months ago
- ☆17Updated 6 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated last month
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆22Updated last year
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆30Updated 3 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆55Updated 5 months ago
- ☆30Updated last year
- Simple protein-ligand complex simulation with OpenMM☆89Updated 2 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆46Updated 10 months ago
- ☆78Updated last year
- Deep generative modeling of protein structural ensembles☆28Updated 2 weeks ago
- ☆55Updated 2 months ago
- ☆34Updated 11 months ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆33Updated 2 weeks ago
- ☆53Updated 3 months ago
- The public versio☆65Updated 2 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆100Updated last week
- Multi-domain Distribution Learning for De Novo Drug Design☆116Updated last month
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆94Updated 11 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆76Updated 2 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆110Updated last month
- A benchmark dataset for protein-ligand co-folding prediction☆34Updated last month