amp91 / PeptideModelsLinks
Code for peptide ligand design with machine learning models.
☆28Updated last year
Alternatives and similar repositories for PeptideModels
Users that are interested in PeptideModels are comparing it to the libraries listed below
Sorting:
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆45Updated 2 weeks ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 8 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated last week
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆33Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆41Updated last year
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆28Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 2 months ago
- Code for ApoDock☆21Updated 8 months ago
- ☆52Updated 7 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 5 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- ☆21Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago
- Structure prediction of alternative protein conformations☆80Updated 9 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- ☆52Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 5 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last week
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆83Updated last month
- Docking Tool Benchmarking Workflow☆24Updated last year
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆20Updated last year