☆17Jul 30, 2024Updated last year
Alternatives and similar repositories for small-mol-gen
Users that are interested in small-mol-gen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆46Jan 15, 2026Updated 2 months ago
- ☆16Jul 7, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- KERMT is a pretrained graph neural network model for molecular property prediction.☆69Updated this week
- ☆21May 28, 2025Updated 9 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆14May 15, 2024Updated last year
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated 8 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Mar 17, 2026Updated last week
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆47Sep 27, 2025Updated 6 months ago
- AutoGrow4 is an open-source program for semi-automated computer-aided drug discovery. It uses a genetic algorithm to evolve predicted lig…☆55Oct 7, 2025Updated 5 months ago
- Kinase-focused fragment library☆68Jan 28, 2026Updated last month
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆65Jun 27, 2025Updated 9 months ago
- ☆14Jan 30, 2025Updated last year
- ☆20Nov 12, 2024Updated last year
- CPSign - an open source modeling software made for QSAR, written in Java☆15Aug 17, 2024Updated last year
- ☆77Aug 3, 2023Updated 2 years ago
- ☆41Jun 3, 2025Updated 9 months ago
- ☆56May 9, 2025Updated 10 months ago
- ☆36Jun 30, 2024Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- python API for rowan☆19Mar 19, 2026Updated last week
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆112Updated this week
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- Examples of MolScore implementations☆12May 30, 2024Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆72Mar 18, 2026Updated last week
- ☆17Dec 5, 2024Updated last year
- ☆65Nov 28, 2023Updated 2 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)☆16May 3, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Aug 20, 2021Updated 4 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- ☆14Dec 31, 2024Updated last year
- ☆20Dec 22, 2024Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆40Oct 30, 2023Updated 2 years ago
- ☆35Mar 8, 2024Updated 2 years ago