swansonk14

typed-argument-parser

Typed argument parser for Python

p_tqdm

Parallel processing with progress bars

SyntheMol

Combinatorial antibiotic generation

admet_ai

Training and prediction scripts for Chemprop models trained on ADMET datasets

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

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.

MCTS_Interpretability

Monte Carlo Tree Search for Interpreting Stress Conditions in Natural Language

random_pairs

Randomly pairs people

graphing_fleas

A 2-dimensional Turing Machine simulator

icml18-jtnn

mcmc-decrypt

Markov Chain Monte Carlo for decryption

language_models_biology

PersonalWebsite

rapidcell

Multiscale modeling of E.coli chemotaxis

binding-ddg-predictor

open source repository

chemotaxis

clmtrackr

Javascript library for precise tracking of facial features via Constrained Local Models

dinov2

PyTorch code and models for the DINOv2 self-supervised learning method.

entry-cli

Command line app for predicting bacterial accumulation

gflownet

GFlowNet library specialized for graph & molecular data

gitsync

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

mammo-keras

multiobj-rationale

Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

tcr-bert

Large language modeling applied to T-cell receptor (TCR) sequences.

test

tictactoe

A simple website for playing tic tac toe.