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admet_ai

Training and prediction scripts for Chemprop models trained on ADMET datasets

androidbox2d

Automatically exported from code.google.com/p/androidbox2d

binding-ddg-predictor

open source repository

chemfunc

Useful functions for working with small molecules

chemotaxis

chemprop-factor

Matrix factorization and deep learning for molecular property prediction

chemprop-intro

An introduction to machine learning for chemical property prediction

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.

drivercodingchallenge

entry-cli

Command line app for predicting bacterial accumulation

escape_embeddings

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

gflownet

GFlowNet library specialized for graph & molecular data

gitsync

graphing_fleas

A 2-dimensional Turing Machine simulator

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

icml18-jtnn

introml

A hands-on introduction to machine learning

language_models_biology

mammo-keras

mammo-pytorch

mcmc-decrypt

Markov Chain Monte Carlo for decryption

mcts_interpretability

Monte Carlo Tree Search for Interpreting Stress Conditions in Natural Language

mitrunningclub

Website for the MIT Running Club

molecular-modeling

multiobj-rationale

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

p_tqdm

Parallel processing with progress bars

personalwebsite

random_pairs

Randomly pairs people

rapidcell

Multiscale modeling of E.coli chemotaxis