☆39Feb 5, 2026Updated 6 months ago
Alternatives and similar repositories for ProtoBind-Diff
Users that are interested in ProtoBind-Diff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13May 24, 2026Updated 3 months ago
- ☆44Sep 24, 2025Updated 11 months ago
- ☆15Jul 5, 2022Updated 4 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆95Mar 31, 2026Updated 5 months ago
- Affinity Protein-Protein Transformers—State of the art protein-protein binding affinity in seconds!☆109Feb 18, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆20May 15, 2025Updated last year
- WaterGate: An Accessible Computational Analysis of Flooding Patterns☆20Aug 23, 2024Updated 2 years ago
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆25Jul 26, 2026Updated last month
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 8 months ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆22Feb 25, 2026Updated 6 months ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆19Jul 7, 2026Updated last month
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆74Nov 22, 2025Updated 9 months ago
- ☆13May 18, 2025Updated last year
- Official implementation of Hyformer, a joint transformer that unifies a generative decoder with a predictive encoder.☆21May 12, 2026Updated 3 months ago
- ☆42Jan 21, 2026Updated 7 months ago
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 6 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- ☆15May 29, 2024Updated 2 years ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆22Sep 23, 2025Updated 11 months ago
- Code repository of "Deep generative design of RNA family sequences"☆44Apr 8, 2026Updated 4 months ago
- Official implementation of SketchMol.☆34Feb 14, 2025Updated last year
- Code associated with the publication 'Generative and predictive neural networks for the design of functional RNA molecules'☆15Apr 8, 2025Updated last year
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆21May 22, 2025Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated last year
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- ☆19Aug 18, 2026Updated 2 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Source code and examples for AlphaFold Unmasked☆79Jun 23, 2026Updated 2 months ago
- ☆16Jun 28, 2024Updated 2 years ago
- ☆60May 9, 2025Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 6 months ago
- PandaDock: Physics based Molecular Docking with GNN Scoring☆100Aug 24, 2026Updated last week
- ☆11Mar 28, 2024Updated 2 years ago