Jupyter Widgets to interact with molecular datasets.
☆33Jun 24, 2022Updated 3 years ago
Alternatives and similar repositories for trident-chemwidgets
Users that are interested in trident-chemwidgets are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆16Dec 11, 2025Updated 4 months ago
- ☆13Nov 26, 2024Updated last year
- ☆26Oct 31, 2022Updated 3 years ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Jul 15, 2024Updated last year
- Deep learning AI for generating new molecules that bond to the COVID-19.☆12Sep 17, 2020Updated 5 years ago
- ☆24Jul 23, 2025Updated 9 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 10 months ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Apr 15, 2026Updated 3 weeks ago
- ☆29May 5, 2025Updated last year
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆29Nov 5, 2025Updated 6 months ago
- ☆21Mar 14, 2023Updated 3 years ago
- Cube Schema☆14Apr 14, 2026Updated 3 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆32Mar 10, 2026Updated last month
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 4 months ago
- ☆12Jul 3, 2021Updated 4 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆28Nov 28, 2024Updated last year
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆21Aug 13, 2024Updated last year
- An experimental repo for experimenting with PyTorch models☆38Mar 24, 2023Updated 3 years ago
- An inversion-of-control framework for developing modular scientific software.☆13Feb 2, 2026Updated 3 months ago
- Ab initio quantum chemistry in Rust from scratch☆16Updated this week
- 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.
- ☆14Jul 6, 2023Updated 2 years ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆45Apr 22, 2026Updated last week
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- ☆15Jun 25, 2025Updated 10 months ago
- This is a LinkedIn Learning repo for Machine Learning with Python: Association Rules.☆18Jun 11, 2024Updated last year
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 7 years ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆83Dec 21, 2025Updated 4 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months 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.
- Downloads USPTO patents and finds molecules related to keyword queries☆71Dec 8, 2023Updated 2 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆30Mar 20, 2026Updated last month
- Copilot for Jupyter notebooks.☆29Mar 6, 2023Updated 3 years ago
- ChEMBL database structure pipelines☆238Nov 24, 2025Updated 5 months ago
- Code for the Data Without Labels☆30May 14, 2025Updated 11 months ago