Code for peptide ligand design with machine learning models.
☆31Dec 8, 2024Updated 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☆27Jul 7, 2023Updated 2 years ago
- Peptide Virtual Screening Pipeline☆12Jul 3, 2019Updated 6 years ago
- A Python package for amino acid sequence analysis. Proforma 2.1 complicant.☆14Feb 6, 2026Updated 3 weeks ago
- ☆21Oct 31, 2024Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆24Mar 2, 2024Updated 2 years ago
- The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri …☆16Nov 27, 2025Updated 3 months ago
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆13Feb 24, 2025Updated last year
- ☆10Apr 1, 2024Updated last year
- A deep learning model to predict anticancer peptides.☆24Jul 10, 2019Updated 6 years ago
- ☆13Jul 7, 2024Updated last year
- ☆14Nov 20, 2024Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- pains filter using rdktit☆10Mar 17, 2015Updated 10 years ago
- Baseline model for PPB-Affinity benchmark data☆35May 21, 2025Updated 9 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆28May 10, 2025Updated 9 months ago
- Bi-Encoder approach for large-scale protein-peptide binding search☆12Jun 14, 2024Updated last year
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated last year
- Generative Tensorial Reinforcement Learning (GENTRL) model☆12Oct 25, 2019Updated 6 years ago
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated 2 years ago
- Metrics for our protein design competitions.☆34Nov 1, 2024Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆30Jul 4, 2024Updated last year
- For MHC-I protein-peptide binding predictions: Deep Learning model with CNN and Snakemake workflow☆13Oct 22, 2018Updated 7 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 6 years ago
- An open-source automated peptide synthesizer based on Arduino and Python☆13Dec 19, 2025Updated 2 months ago
- The GAN model for designing AMP☆16Aug 19, 2025Updated 6 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated last year
- ☆57Mar 14, 2024Updated last year
- antimicrobial peptide prediction in R☆33Dec 17, 2024Updated last year
- ☆16Jan 2, 2024Updated 2 years ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆21Oct 31, 2025Updated 4 months ago
- ☆14Jul 5, 2022Updated 3 years ago
- ☆16Dec 10, 2024Updated last year
- Official code release for Ambient Protein Diffusion☆32Aug 30, 2025Updated 6 months ago
- ☆38May 22, 2024Updated last year
- An improved method for predicting toxicity of the peptides and designing of non-toxic peptides☆26May 29, 2025Updated 9 months ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated 11 months ago
- ☆19Jan 18, 2026Updated last month