Generative Molecular Design Isn't As Easy As People Make It Look
I was taken aback by a recent CNBC article entitled “ Generative AI will be designing new drugs all on its own in the near future ”. I shou...
Is Google's AI Actually Discovering 'Millions of New Materials?'
"In the DeepMind paper there are many examples of predicted materials that are clearly nonsensical."
AI in Drug Discovery - A Highly Opinionated Literature Review (Part III)
Following up on Part I and Part II, the third post in this series is a collection of review articles published in 2023 that I found helpfu...
Eyes on tokenize
I was writing a tokenizer for SMILES and came across a recent paper by the IBM Research team on reaction standardisation which contained a ...
Scikit-Mol – Easy Embedding of RDKit into Scikit-Learn | Cheminformania
Alchemite™ Analytics machine learning platform
Alchemite™ Analytics accelerates innovation through applied machine learning. Get deep insights into real-world, sparse and noisy, experimental and process data, Reduce the number of experiments required to achieve your goals by 50-80%.
Building a graph convolutional network for molecular property prediction 978b0ae10ec4
MolSetRep – Macs in Chemistry
Automating Chemical Entity Recognition: Creating Your ChemNER Model |…
archived 18 Nov 2023 17:12:18 UTC
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...
thomas0809/MolScribe
Contribute to thomas0809/MolScribe development by creating an account on GitHub.
How to Solve the Protein Folding Problem: AlphaFold2 | by Leonardo Ca…
archived 24 Mar 2023 23:53:37 UTC
Predicting Protein Functions using Machine Learning
How to predict protein functions using the CAFA2 Competition Methodology — Part I
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.