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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- Code to analyze SAR datasets for Nonadditivity☆20Aug 8, 2021Updated 5 years ago
- ☆10Feb 18, 2020Updated 6 years ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- Code to accompany my blog post "Dissecting the Hype With Cheminformatics"☆12Sep 22, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆173Jan 24, 2025Updated last year
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Repository for downloading, processing, and analyzing FDA Adverse Event Reporting System data.☆17Apr 9, 2026Updated 5 months ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆13Dec 29, 2022Updated 3 years ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆82Apr 13, 2021Updated 5 years ago
- ☆26Mar 11, 2022Updated 4 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆51Oct 8, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆29Sep 30, 2022Updated 3 years ago
- ☆14Oct 16, 2022Updated 3 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
- ☆11Aug 3, 2023Updated 3 years ago
- ☆16Aug 27, 2026Updated 3 weeks ago
- Cluster up to millions of peptide sequences on shared sequence motifs.☆13Oct 1, 2018Updated 7 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆13Jun 15, 2019Updated 7 years ago
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆19Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A lightweight visualization tool for molecules and their properties☆16Sep 19, 2017Updated 9 years ago
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 4 years ago
- ☆16Jan 2, 2024Updated 2 years ago
- ☆23Apr 14, 2024Updated 2 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Oct 22, 2021Updated 4 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 7 years ago
- ☆18Oct 11, 2025Updated 11 months ago
- ☆18Jan 11, 2024Updated 2 years ago
- 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.
- ☆18Sep 30, 2025Updated 11 months ago
- 6 Games with turtle graphics 🐢 Python☆15Feb 6, 2026Updated 7 months ago
- Neuro Behaviour Ontology: an ontology for human and animal behaviour processes and behaviour phenotypes☆28Jan 14, 2026Updated 8 months ago
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 14 years ago
- Alchemical mutation scoring map☆42Apr 7, 2022Updated 4 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- ETL project to download and process both CME open interest data, COT data from the CFTC and NAV/shares-outstanding data from various ETF …☆13Jul 13, 2021Updated 5 years ago