The official codebase of peptidy, a peptide processing tool for machine learning.
☆36Apr 25, 2025Updated 10 months ago
Alternatives and similar repositories for peptidy
Users that are interested in peptidy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MOlecule fRagmenTAtion fRamework☆29Updated this week
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Aug 18, 2024Updated last year
- A Python package for processing molecules with RDKit in scikit-learn☆217Mar 17, 2026Updated last week
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆35Updated this week
- Target prediction☆13May 8, 2020Updated 5 years ago
- ☆13Jul 24, 2025Updated 8 months ago
- ☆32Jan 12, 2026Updated 2 months ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆22Apr 3, 2024Updated last year
- ☆12Oct 9, 2024Updated last year
- ☆28Jan 9, 2024Updated 2 years ago
- ☆16Dec 2, 2025Updated 3 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆128Mar 24, 2025Updated last year
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆53Sep 19, 2025Updated 6 months ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- Multiple Protein Structure Alignment at Scale with FoldMason☆264Jan 31, 2026Updated last month
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated 11 months ago
- ☆16Jun 23, 2025Updated 9 months ago
- few-shot compound activity regression☆13Aug 19, 2024Updated last year
- A benchmark for 3D biomolecular structure prediction models☆69May 11, 2025Updated 10 months ago
- Molecular filtering for drug discovery.☆73May 19, 2025Updated 10 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆47Jan 17, 2024Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated last week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆75Mar 27, 2025Updated 11 months ago
- ☆28Mar 15, 2026Updated last week
- It's a package for evaluation of predicted poses, right?☆74Feb 17, 2026Updated last month
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated last month
- ☆101Feb 24, 2025Updated last year
- ☆30Mar 27, 2025Updated 11 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- RDKit Made Idiomatic for Rust☆24Mar 13, 2026Updated last week
- App for serotonergic targets☆12Jan 8, 2026Updated 2 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Oct 16, 2023Updated 2 years ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆75Feb 28, 2026Updated 3 weeks ago
- Some useful RDKit functions☆222Updated this week
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆114Dec 5, 2025Updated 3 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Jan 29, 2026Updated last month
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago