Sulstice / cocktail-shakerView external linksLinks
A peptide string building for expanding chemical dataset combinations.
☆12Dec 8, 2024Updated last year
Alternatives and similar repositories for cocktail-shaker
Users that are interested in cocktail-shaker are comparing it to the libraries listed below
Sorting:
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 4 years ago
- ☆10Feb 18, 2020Updated 5 years ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆24Jun 23, 2021Updated 4 years ago
- ☆11Aug 3, 2023Updated 2 years ago
- Code to accompany my blog post "Dissecting the Hype With Cheminformatics"☆12Sep 22, 2019Updated 6 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- ☆25Mar 11, 2022Updated 3 years ago
- ☆15Dec 17, 2025Updated last month
- ☆13Dec 29, 2022Updated 3 years ago
- ☆49Oct 8, 2020Updated 5 years ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆81Apr 13, 2021Updated 4 years ago
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Jan 24, 2025Updated last year
- ☆28Sep 30, 2022Updated 3 years ago
- Repository for downloading, processing, and analyzing FDA Adverse Event Reporting System data.☆15Dec 5, 2023Updated 2 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆11Jun 15, 2019Updated 6 years ago
- GTM (Generative Topographic Mapping)☆16Jul 15, 2019Updated 6 years ago
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆17Updated this week
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- Cluster up to millions of peptide sequences on shared sequence motifs.☆13Oct 1, 2018Updated 7 years ago
- ☆17Sep 30, 2025Updated 4 months ago
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 3 years ago
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 13 years ago
- ☆16Jan 2, 2024Updated 2 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆18Jul 14, 2024Updated last year
- ☆18Jan 11, 2024Updated 2 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- ☆20Nov 12, 2024Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Nov 28, 2023Updated 2 years ago
- Alchemical mutation scoring map☆40Apr 7, 2022Updated 3 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Jun 4, 2025Updated 8 months ago
- ☆18Oct 11, 2025Updated 4 months ago
- Neuro Behaviour Ontology: an ontology for human and animal behaviour processes and behaviour phenotypes☆26Jan 14, 2026Updated last month
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆63Updated this week