Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
☆36Mar 19, 2025Updated last year
Alternatives and similar repositories for BBAR
Users that are interested in BBAR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Jul 31, 2020Updated 6 years ago
- ☆68Mar 11, 2023Updated 3 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆14Oct 9, 2024Updated last year
- ☆17Jan 10, 2024Updated 2 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.
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 6 months ago
- PIGNet source code☆57Feb 13, 2022Updated 4 years ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆39Apr 6, 2026Updated 4 months ago
- ☆12Jun 14, 2022Updated 4 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆39Jan 23, 2024Updated 2 years ago
- ☆89Jan 11, 2025Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- ☆15Sep 27, 2024Updated last year
- ☆17Nov 14, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆74Apr 17, 2024Updated 2 years ago
- ☆26Mar 11, 2022Updated 4 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆20Jul 3, 2024Updated 2 years ago
- ☆21May 28, 2025Updated last year
- ☆38Jan 8, 2021Updated 5 years ago
- source code for deppHop☆36Aug 19, 2022Updated 4 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆67Jul 2, 2024Updated 2 years ago
- ☆44Feb 15, 2022Updated 4 years ago
- 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.
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆59Apr 21, 2025Updated last year
- ☆99Dec 19, 2022Updated 3 years ago
- ParetoDrug☆12Sep 3, 2024Updated 2 years ago
- ☆34Mar 19, 2023Updated 3 years ago
- Generative AI for designing easily synthesizable small molecule drugs☆232Apr 27, 2026Updated 4 months ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 3 weeks ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 4 months ago
- ☆25Oct 14, 2020Updated 5 years ago
- 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.
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆101Feb 24, 2025Updated last year
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆20Dec 24, 2023Updated 2 years ago
- Official repository for MolCRAFT series☆159Oct 27, 2025Updated 10 months ago
- ☆17Feb 8, 2024Updated 2 years ago
- Yet another ML method comparison☆16Nov 20, 2022Updated 3 years ago