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List of Molecular and Material design using Generative AI and Deep Learning
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
scikit-learn classes for molecular vectorization using RDKit
Reproducible drug repurposing: a Python-based framework for building drug-disease association classifiers
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict property differences between two molecules.
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
TLI offers educational resources for earthquake-affected communities in Turkey. Find a comprehensive curriculum and detailed course materials in this repository, covering a range of subjects. Join …
Python for chemoinformatics
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
A powerful and flexible machine learning platform for drug discovery
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
Practical Cheminformatics Tutorials
📺 Discover the latest machine learning / AI courses on YouTube.