☆57Mar 14, 2024Updated 2 years ago
Alternatives and similar repositories for DEVELOP
Users that are interested in DEVELOP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Sep 14, 2022Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- ☆25Mar 11, 2022Updated 4 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- ☆136Nov 6, 2022Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆54Jan 17, 2026Updated 3 months ago
- Novel molecules from a reference shape!☆82Jan 30, 2024Updated 2 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆202Feb 12, 2023Updated 3 years ago
- Deep Binding Structure RMSD Prediction☆22Mar 19, 2021Updated 5 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated last year
- ☆101Feb 24, 2025Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆94Jul 15, 2025Updated 9 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- ☆66Mar 11, 2023Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆17Nov 14, 2022Updated 3 years ago
- ☆12Jul 5, 2024Updated last year
- ☆57May 9, 2025Updated 11 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆58Mar 16, 2023Updated 3 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆380Apr 17, 2024Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆46Jan 27, 2022Updated 4 years ago
- Conformer multi-instance machine Learning☆60Sep 29, 2025Updated 7 months ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- 3D pharmacophore signatures and fingerprints☆113May 8, 2025Updated 11 months ago
- ☆18Aug 5, 2023Updated 2 years ago
- ☆39Feb 5, 2024Updated 2 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆132Mar 16, 2023Updated 3 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆398Nov 16, 2023Updated 2 years ago
- ☆178Apr 22, 2022Updated 4 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- source code for deppHop☆35Aug 19, 2022Updated 3 years ago
- ☆14Apr 16, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- pythonic interface to virtual screening software☆92Sep 4, 2025Updated 8 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆27Nov 7, 2025Updated 5 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆72Nov 20, 2023Updated 2 years ago
- ☆23Jul 27, 2021Updated 4 years ago
- ☆13Oct 9, 2024Updated last year
- ☆28Mar 16, 2023Updated 3 years ago
- ☆42Nov 10, 2020Updated 5 years ago