https://www.sc-best-practices.org

Demonstrates how to integrate SQLModel with the RDKit database cartridge in the simplest way possible.

Source code for analyses and to reproduce all figures in the following publication: The genetic architecture of protein stability (Faure AJ et al., 2024)

Neural networks to fit interpretable models and quantify energies, energetic couplings, epistasis and allostery from deep mutational scanning data

This is the GitHub Repository accompanying the paper: "AlphaMut: a deep reinforcement learning model to suggest helix-disrupting mutations"

V and C region bearing antibody database

Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"

Source code and result for Paper 'A Prompt-Engineered Large Language Model, Deep Learning Workflow for Materials Classification' published in Materials Today.

13th RDKit UGM. 11-13 September in Zurich, Switzerland

Scaffold decoration and fragment linking with chemical language models and RL

The Enhanced Database of Interacting Protein Structures for Interface Prediction

P450Diffusion: A tool for designing P450 sequences based on diffusion model

Using gflownets to guide molecule search with multi-omic proxy models

Pretrainable geometric graph neural network for antibody affinity maturation

NMR tutorials

Chemoenzymatic Synthesis Planning Guided by Reaction Type Score

VAE for generating artificial mitochondrial and dual-targeting sequences

Data and analysis code for MP3-Seq

Structure-informed machine learning for kinase modeling