Datagrok platform – Macs in Chemistry
mims-harvard/TDC: Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science - mims-harvard/TDC
Reaction Prediction Models: Chapter 1 – Catalysts
In this chapter we will explore models that can propose and rank catalysts for a given reaction transform. The methodology uses graph-based deep learning models trained on a moderate sized corpus o…
Automated molecular structure segmentation from documents using ChemSAM - PubMed
Chemical structure segmentation constitutes a pivotal task in cheminformatics, involving the extraction and abstraction of structural information of chemical compounds from text-based sources, including patents and scientific articles. This study introduces a deep learning approach to chemical struc …
Generative ML in chemistry is bottlenecked by synthesis — LessWrong
Introduction Every single time I design a protein — using ML or otherwise — I am confident that it is capable of being manufactured. I simply reach o…
Journal of Chemical Information and Modeling
Read research published in the Journal of Chemical Information and Modeling Vol. 64 Issue 7 on ACS Publications, a trusted source for peer-reviewed journals.
GitHub - AspirinCode/papers-for-molecular-design-using-DL: List of molecular design using Generative AI and Deep Learning
List of molecular design using Generative AI and Deep Learning - GitHub - AspirinCode/papers-for-molecular-design-using-DL: List of molecular design using Generative AI and Deep Learning
Glasgow university spinout raises $43mn to ‘digitise chemistry’ | Financial Times
Microsoft’s New AI Method to Predict How Molecules Move and Function …
archived 20 Jul 2023 11:03:54 UTC
Getting Real with Molecular Property Prediction
iryna-kondr/scikit-llm: Seamlessly integrate powerful language models like ChatGPT into scikit-learn for enhanced text analysis tasks.
Scikit-LLM: Sklearn Meets Large Language Models | Macs in Chemistry
Seamlessly integrate powerful language models like ChatGPT into scikit-learn for enhanced text analysis tasks.
GT4SD/gt4sd-core: GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process. - GT4SD/gt4sd-core: GT4SD, an open-source library to accelerate hypothesis generation in the s...
Applied Mathematics and Informatics in Drug Discovery
University of Basel/ Fall Semester 2022/ Fridays 12:15-14:00 @ Spiegelgasse 5, 05.002
insilicomedicine/GENTRL: Generative Tensorial Reinforcement Learning (GENTRL) model
Generative Tensorial Reinforcement Learning (GENTRL) model - insilicomedicine/GENTRL: Generative Tensorial Reinforcement Learning (GENTRL) model
Generative Molecular Design - We Need to Raise the Bar
While it's great that we're now seeing papers describing the experimental validation of generative algorithms for molecular design, we need ...
AI in Drug Discovery 2022 - A Highly Opinionated Literature Review
Here’s a roundup of some of the papers I found interesting in 2022. This list is heavily slanted to my interests, which lean toward the appl...
bayer-science-for-a-better-life/Img2Mol
Contribute to bayer-science-for-a-better-life/Img2Mol development by creating an account on GitHub.