☆14May 15, 2024Updated 2 years ago
Alternatives and similar repositories for bbSelect
Users that are interested in bbSelect are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆20Jul 3, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆13Oct 9, 2024Updated last year
- ☆18Aug 5, 2023Updated 2 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆13Jul 5, 2024Updated 2 years ago
- ☆100Aug 23, 2024Updated last year
- A fragment-based molecular assembly toolkit☆52Jul 13, 2026Updated last week
- ☆40Feb 20, 2026Updated 5 months ago
- A Python tool for creating and downsampling chemical pointclouds.☆13Apr 18, 2025Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- ☆12Oct 9, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆18Mar 14, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- ☆17Jul 30, 2024Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆33Jun 17, 2026Updated last month
- Machine Learning model for molecular micro-pKa prediction☆52Sep 28, 2024Updated last year
- ☆19Dec 31, 2024Updated last year
- 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.
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated 2 years ago
- LillyMol Public Code☆17Updated this week
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 8 months ago
- Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one …☆23Jul 8, 2026Updated last week
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆70Nov 20, 2023Updated 2 years ago
- ☆14Jul 7, 2025Updated last year
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 8 months ago
- ☆21May 28, 2025Updated last year
- ☆90Jul 19, 2023Updated 3 years ago
- Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…☆17Apr 20, 2025Updated last year
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- ☆22Apr 7, 2023Updated 3 years ago