Chemical compound registration system: lightweight, flexible, hackable
☆15Mar 11, 2026Updated 4 months ago
Alternatives and similar repositories for mol-track
Users that are interested in mol-track are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Datagrok repository for ADMET property evaluation☆32Feb 21, 2025Updated last year
- DNA Encoded Library Data Analysis toolkit for DEL data analysis☆10Jun 12, 2025Updated last year
- Biological Relationships - Biorels data preparation infrastructure for biology and drug discovery☆16May 19, 2025Updated last year
- A package for calling DEL selections and running data analysis on the results☆18Updated this week
- ☆40Feb 20, 2026Updated 5 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆18Dec 26, 2022Updated 3 years ago
- ☆13Sep 19, 2022Updated 3 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- Cheminformatic extension for SQLAlchemy☆18May 30, 2026Updated last month
- Molecular Library Toolbox☆66Apr 27, 2026Updated 2 months ago
- ☆17Updated this week
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 6 months ago
- An automated framework for generating optimized partial charges for molecules☆39Jul 6, 2026Updated 2 weeks 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.
- The database and API backend for ZincBind - the database of zinc binding sites☆16Apr 8, 2025Updated last year
- ☆38Jan 8, 2021Updated 5 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆16Oct 26, 2022Updated 3 years ago
- Recursive LLMs for Retrosynthesis☆27Updated this week
- Fairspace provides a secure environment for managing research data.☆14Aug 13, 2025Updated 11 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆90Feb 9, 2026Updated 5 months ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- FAIR Dataset Maturity model☆10Mar 20, 2023Updated 3 years ago
- Colorblind-friendly, perceptually uniform palettes for pymol☆21Jan 25, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- GUI for Boltz☆35Jun 11, 2025Updated last year
- LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Na…☆15Aug 28, 2025Updated 10 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆49Updated this week
- HTML5 client for xpra - Outdated, DO NOT USE☆17Jul 5, 2018Updated 8 years ago
- Scientific research data management platform for storing, managing, and visualizing data from all preclinical drug discovery phases☆33Updated this week
- ☆17Jul 2, 2025Updated last year
- Optimize classical force field parameters against reference data☆12Jul 10, 2026Updated last week
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆34Jul 5, 2024Updated 2 years ago
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆13Feb 24, 2022Updated 4 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- MCP server that enables language models to interact with RDKit through natural language☆41May 4, 2026Updated 2 months ago
- Mordred port in cpp☆56Feb 27, 2025Updated last year
- Implementation of SCINS☆17Nov 6, 2024Updated last year
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆18Apr 24, 2026Updated 2 months ago