A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
☆161Sep 9, 2025Updated 5 months ago
Alternatives and similar repositories for intro_pharma_ai
Users that are interested in intro_pharma_ai are comparing it to the libraries listed below
Sorting:
- Repository for the SCS Spring School on Digital Chemistry☆21Apr 24, 2023Updated 2 years ago
- Resources, Code, and Other things I use to teach Cheminformatics.☆176Dec 7, 2024Updated last year
- Extracting medicinal chemistry intuition via preference machine learning☆117Oct 31, 2023Updated 2 years ago
- Practical Cheminformatics Tutorials☆1,190Feb 22, 2026Updated last week
- EPFL CH-457 "AI for chemistry"☆248Updated this week
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆37Oct 13, 2025Updated 4 months ago
- molfeat - the hub for all your molecular featurizers☆222May 27, 2025Updated 9 months ago
- Compilation of chemoinformatics and machine learning techniques☆62Jul 20, 2025Updated 7 months ago
- The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the …☆24May 26, 2023Updated 2 years ago
- ☆28Jul 2, 2025Updated 8 months ago
- Some useful RDKit functions☆222Jan 12, 2026Updated last month
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 4 months ago
- Synthesis generative model☆48Apr 24, 2025Updated 10 months ago
- Explainer for black box models that predict molecule properties☆347May 8, 2025Updated 9 months ago
- ☆66Feb 16, 2021Updated 5 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Example implementations of common machine learning projects in chemistry.☆186Feb 17, 2026Updated 2 weeks ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- ☆14Jul 5, 2022Updated 3 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆968Updated this week
- add-on to plotly which show molecule images on mouseover!☆262Apr 10, 2024Updated last year
- A python package for chemical space visualization.☆151Dec 17, 2024Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆276Oct 30, 2023Updated 2 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- Simple package for fast molecular similarity searches☆164Feb 26, 2026Updated last week
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Dec 15, 2025Updated 2 months ago
- Machine learning accelerated docking screens☆69Jan 20, 2025Updated last year
- ☆65Jul 25, 2025Updated 7 months ago
- A curated list of Cheminformatics libraries and software.☆840Mar 15, 2024Updated last year
- Cloud-based molecular simulations for everyone☆475Jan 20, 2026Updated last month
- ☆77Aug 3, 2023Updated 2 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆61Sep 5, 2022Updated 3 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- ChEMBL Similarity Search☆18Nov 28, 2020Updated 5 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- Molecular Processing Made Easy.☆529Jun 10, 2024Updated last year
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Jan 24, 2025Updated last year
- ☆14Jun 4, 2024Updated last year
- ☆13Jul 25, 2025Updated 7 months ago