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 6 months ago
- ☆13Nov 26, 2024Updated last year
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 10 months ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Jul 15, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Deep learning AI for generating new molecules that bond to the COVID-19.☆12Sep 17, 2020Updated 5 years ago
- ☆25Jul 23, 2025Updated 10 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 11 months ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Jun 5, 2026Updated last week
- ☆29May 5, 2025Updated last year
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆31Updated this week
- ☆21Mar 14, 2023Updated 3 years ago
- Cube Schema☆14Updated this week
- ☆32May 25, 2026Updated 3 weeks 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.
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 6 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 3 years ago
- An inversion-of-control framework for developing modular scientific software.☆13May 18, 2026Updated 3 weeks ago
- Ab initio quantum chemistry in Rust from scratch☆16Jun 8, 2026Updated last week
- ☆14Jul 6, 2023Updated 2 years ago
- A minimal, cute and customizable weather cli package to match any terminal config ✨☆30Feb 9, 2026Updated 4 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Mordred port in cpp☆55Feb 27, 2025Updated last year
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- ☆15Jun 25, 2025Updated 11 months ago
- This is a LinkedIn Learning repo for Machine Learning with Python: Association Rules.☆18Jun 11, 2024Updated 2 years ago
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆87Dec 21, 2025Updated 5 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 4 months ago
- Downloads USPTO patents and finds molecules related to keyword queries☆72Dec 8, 2023Updated 2 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- 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.
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆30Mar 20, 2026Updated 2 months ago
- ChEMBL database structure pipelines☆242Nov 24, 2025Updated 6 months ago
- ☆15Apr 30, 2025Updated last year
- Code for the Data Without Labels☆31May 14, 2025Updated last year
- StarCraft 2 Data Pipeline with Airflow, DuckDB and Streamlit☆16Mar 14, 2024Updated 2 years ago
- Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein☆13Mar 26, 2025Updated last year