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☆19Aug 8, 2021Updated 4 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 6 years 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.
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Jan 24, 2025Updated last year
- Repository for downloading, processing, and analyzing FDA Adverse Event Reporting System data.☆16Apr 9, 2026Updated 2 months ago
- ☆24Jun 23, 2021Updated 4 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
- ☆15Dec 29, 2022Updated 3 years ago
- ☆11Aug 3, 2023Updated 2 years ago
- ☆50Oct 8, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆28Sep 30, 2022Updated 3 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- Cluster up to millions of peptide sequences on shared sequence motifs.☆13Oct 1, 2018Updated 7 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 14 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 7 years ago
- ☆16Apr 15, 2026Updated 2 months ago