Python-based Informatics Kit for Analysing Chemical Units
☆75Feb 18, 2026Updated 3 months ago
Alternatives and similar repositories for pikachu
Users that are interested in pikachu are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Reaction Analysis through Imaging of Chemical Units☆16Dec 5, 2025Updated 5 months ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 5 months ago
- ☆13Sep 8, 2021Updated 4 years ago
- ☆14Jul 12, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated last month
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- ☆10Apr 20, 2022Updated 4 years ago
- Another Molecular String Representation☆10May 8, 2026Updated 2 weeks ago
- A program for the conformational search in flexible acyclic molecules☆11Jul 12, 2022Updated 3 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 5 years ago
- Simple RDKit molecule editor GUI using PySide☆176May 3, 2026Updated 3 weeks ago
- Mordred port in cpp☆55Feb 27, 2025Updated last year
- A Fast Chemical Graph Generator☆95Mar 5, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 11 months ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 9 months ago
- Interactive molecule viewer for 2D structures☆254Dec 27, 2025Updated 4 months ago
- ☆13Aug 5, 2025Updated 9 months ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆47Jun 4, 2025Updated 11 months ago
- BKChem, a molecular drawing and chemical editor (sketching) software: now ported to Python 3☆110Apr 23, 2026Updated last month
- The Chemical Data Processing Toolkit☆119May 16, 2026Updated last week
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 8 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.
- lsaBGC - Lineage Specific Analysis of Biosynthetic Gene Clusters☆41Sep 28, 2025Updated 7 months ago
- Refined and extended version of ChemTS☆121Apr 5, 2026Updated last month
- Contains relevant project files to publicly available tautomer database "Tautobase"☆23Nov 8, 2022Updated 3 years ago
- Simple package for fast molecular similarity searches☆170Mar 11, 2026Updated 2 months ago
- scikit-learn classes for molecular vectorization using RDKit☆201Nov 2, 2025Updated 6 months ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Modeling Tanimoto distributions for RDKit☆18Feb 28, 2020Updated 6 years ago
- The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit☆14Dec 12, 2022Updated 3 years ago
- ☆16Jan 2, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆15Jan 21, 2025Updated last year
- Descriptor computation(chemistry) and (optional) storage for machine learning☆279Oct 26, 2024Updated last year
- ChEMBL database structure pipelines☆241Nov 24, 2025Updated 6 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- pythonic interface to virtual screening software☆91Sep 4, 2025Updated 8 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆115Dec 5, 2025Updated 5 months ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆24Jan 15, 2026Updated 4 months ago