swansonk14

typed-argument-parser. Typed argument parser for Python

p_tqdm. Parallel processing with progress bars

admet_ai. Training and prediction scripts for Chemprop models trained on ADMET datasets

SyntheMol. Generative AI for designing easily synthesizable small molecule drugs

chemfunc. Useful functions for working with small molecules

IntroML. A hands-on introduction to machine learning

chemprop-intro. An introduction to machine learning for chemical property prediction

language_models_biology. Jupyter Notebook

chemprop-factor. Matrix factorization and deep learning for molecular property prediction

escape_embeddings. Modeling SARS-CoV-2 antigen escape from antibodies using pretrained protein language model embeddings.

random_pairs. Randomly pairs people

MCTS_Interpretability. Monte Carlo Tree Search for Interpreting Stress Conditions in Natural Language

biomedical_o1. Jupyter Notebook

graphing_fleas. A 2-dimensional Turing Machine simulator

icml18-jtnn. Python

mcmc-decrypt. Markov Chain Monte Carlo for decryption

REINVENT4. AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

molecular-modeling. Python

rapidcell. Multiscale modeling of E.coli chemotaxis

PersonalWebsite. JavaScript