☆30Mar 27, 2025Updated last year
Alternatives and similar repositories for 2025-practical-programming-in-chemistry-exercises
Users that are interested in 2025-practical-programming-in-chemistry-exercises are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 7 months ago
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆21Apr 24, 2023Updated 2 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Updated this week
- ☆22Jul 25, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- EPFL CH-457 "AI for chemistry"☆255Mar 16, 2026Updated last week
- ☆24Nov 24, 2024Updated last year
- Links to books, webpages, essays, apps, and other stuff from the internet.☆26Oct 24, 2025Updated 5 months ago
- ai_in_chemistry_workshop☆80Sep 16, 2024Updated last year
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- View chemicals as graphs and perform operations on graphs for predictive chemistry☆27Jan 4, 2026Updated 2 months ago
- Target prediction☆13May 8, 2020Updated 5 years ago
- ☆16Dec 2, 2025Updated 3 months ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆36Apr 25, 2025Updated 11 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- a curated list of resources for everyone interested in learning about digital chemistry☆41Jan 25, 2026Updated 2 months ago
- AI Assistance for Writing Scientific Alt Text☆14Feb 7, 2024Updated 2 years ago
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 4 months ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Feb 7, 2026Updated last month
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- ☆13Feb 11, 2025Updated last year
- ☆14Dec 7, 2024Updated last year
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 2024Updated 2 years ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated 8 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- Molecular Hypergraph Neural Network☆43Jul 4, 2025Updated 8 months ago
- Therapeutic Nanobody Profiler☆20Nov 11, 2025Updated 4 months ago
- Another Molecular String Representation☆10Updated this week
- ☆11Apr 13, 2022Updated 3 years ago
- Modelling the Multiwavelength Variability of Mrk-335 using Gaussian processes☆12May 30, 2022Updated 3 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- GUI for MNPBEM with extended functionality☆13Jun 7, 2022Updated 3 years ago
- Chemical intuition for surface science in a package.☆57Mar 17, 2026Updated last week
- 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.
- few-shot compound activity regression☆13Aug 19, 2024Updated last year
- Automated Design of Agentic Systems☆10Sep 7, 2024Updated last year
- ☆32Feb 5, 2024Updated 2 years ago
- A GUI for automated sequence design of wireframe scaffolded DNA origami☆14Nov 3, 2021Updated 4 years ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 2 years ago
- Easy & Pretrained SOTA Deep Learning for RNA strings☆12Apr 15, 2022Updated 3 years ago
- code for learning trajectory dependencies for human motion prediction☆11Mar 2, 2022Updated 4 years ago