☆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:
- ☆53Jan 15, 2026Updated 4 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.☆77Mar 30, 2026Updated last month
- ☆21May 28, 2025Updated 11 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆14May 15, 2024Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated 10 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☆31May 9, 2026Updated 2 weeks ago
- 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 8 months ago
- Kinase-focused fragment library☆69Jan 28, 2026Updated 3 months ago
- ☆66Jun 27, 2025Updated 10 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 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.
- AutoGrow4 is an open-source program for semi-automated computer-aided drug discovery. It uses a genetic algorithm to evolve predicted lig…☆58Oct 7, 2025Updated 7 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 11 months ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- ☆60May 9, 2025Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- AI Agents on 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.
- ☆37Jun 30, 2024Updated last year
- python API for rowan☆20Updated this week
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆119Updated this week
- PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.☆24Jul 13, 2025Updated 10 months ago
- Examples of MolScore implementations☆12May 30, 2024Updated last year
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆18Jun 14, 2024Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆80Mar 18, 2026Updated 2 months ago
- ☆66Nov 28, 2023Updated 2 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)☆16May 3, 2023Updated 3 years ago
- 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
- ☆19Dec 5, 2024Updated last year
- ☆18Dec 31, 2024Updated last year
- ☆21Dec 22, 2024Updated last year