☆94Aug 23, 2024Updated last year
Alternatives and similar repositories for roshambo
Users that are interested in roshambo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14May 15, 2024Updated last year
- ☆56May 9, 2025Updated 11 months ago
- Scoring of shape and ESP similarity with RDKit☆234Aug 19, 2025Updated 7 months ago
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated last year
- ☆12Jul 5, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆20Jul 3, 2024Updated last year
- ☆13Oct 9, 2024Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆491Mar 30, 2026Updated 2 weeks ago
- ☆11Jan 21, 2019Updated 7 years ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆16Jul 7, 2024Updated last year
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆62Sep 5, 2022Updated 3 years ago
- BitBIRCH clustering algorithm☆127Oct 21, 2025Updated 5 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- ☆101Feb 24, 2025Updated last year
- 3D pharmacophore signatures and fingerprints☆113May 8, 2025Updated 11 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated 2 weeks ago
- MOPAC wrapper providing the PM6-ML correction☆22Mar 23, 2026Updated 3 weeks ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆231Updated this week
- Some useful RDKit functions☆224Mar 18, 2026Updated 3 weeks ago
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- ☆54Jan 17, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆16Dec 31, 2024Updated last year
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated 10 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Mar 30, 2026Updated 2 weeks ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆141Nov 10, 2025Updated 5 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An open library to work with pharmacophores.☆49Jul 6, 2023Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆92Jul 15, 2025Updated 9 months ago
- Interactive molecule viewer for 2D structures☆253Dec 27, 2025Updated 3 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆291Updated this week
- ☆15Dec 4, 2023Updated 2 years ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆166Updated this week
- ☆17Sep 14, 2022Updated 3 years ago