☆90Jan 29, 2022Updated 4 years ago
Alternatives and similar repositories for chem_tutorial
Users that are interested in chem_tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆66Feb 16, 2021Updated 5 years ago
- ☆38Feb 14, 2022Updated 4 years ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆199Nov 19, 2020Updated 5 years ago
- ☆16Sep 7, 2023Updated 3 years ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆286Oct 30, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆27Sep 1, 2021Updated 5 years ago
- Resources for Learning Cheminformatics with the RDKit☆19Apr 7, 2019Updated 7 years ago
- ☆22Apr 7, 2023Updated 3 years ago
- Some useful RDKit functions☆239Aug 27, 2026Updated 3 weeks ago
- Practical Cheminformatics Tutorials☆1,309Aug 22, 2026Updated 3 weeks ago
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Repository for the SCS Spring School on Digital Chemistry☆21Apr 24, 2023Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 4 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- RDKit related blog posts, notebooks, and data.☆159Aug 25, 2026Updated 3 weeks ago
- metallocage construction and binding affinity calculations☆17May 30, 2023Updated 3 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- ☆78Aug 3, 2023Updated 3 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- 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.
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,069Sep 1, 2026Updated 2 weeks ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 6 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- A curated list of Cheminformatics libraries and software.☆886Mar 15, 2024Updated 2 years ago
- pythonic interface to virtual screening software☆94Sep 4, 2025Updated last year
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆82Jul 17, 2023Updated 3 years 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.
- ☆23Nov 10, 2020Updated 5 years ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆29Aug 9, 2022Updated 4 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Oct 26, 2020Updated 5 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- Molecular Processing Made Easy.☆550Sep 9, 2026Updated last week
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆96Sep 11, 2026Updated last week
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 5 months ago