amp91 / PeptideModelsLinks
Code for peptide ligand design with machine learning models.
☆30Updated last year
Alternatives and similar repositories for PeptideModels
Users that are interested in PeptideModels are comparing it to the libraries listed below
Sorting:
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆27Updated 2 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆35Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- ☆21Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Updated 10 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆53Updated last week
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated 2 years ago
- ☆35Updated 2 months ago
- ☆54Updated 9 months ago
- Deep learning tools for peptide substrate prediction and generation☆36Updated 2 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 4 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 4 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆20Updated 3 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆61Updated 8 months ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆20Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- Code for ApoDock☆21Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- ☆74Updated 10 months ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- Modelling protein conformational landscape with Alphafold☆54Updated 5 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- Fragment-based Molecular Expansion☆27Updated 2 years ago