Kevin Greenman's repositories
awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
chemprop-demo
Demo of Chemprop for the nanoHUB Hands-on Data Science and Machine Learning Training Series
2021_QryptoQuHackers
Team QryptoQuHackers (iQuHACK 2021)
kevingreenman.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
uncertainty_guided_optimization
Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Miguel Hernández-Lobato, Yarin Gal)
amd_property_models
Property prediction models for the DARPA AMD Project at MIT
awesome-self-driving-labs
A curated list of self-driving laboratories that combine hardware automation and artificial intelligence to accelerate scientific discovery.
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
FLIP
A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design
plotmol
Interactive plotting of data annotated with molecule structures.
rdkit
The official sources for the RDKit library
repro_mit
This repo is for teaching a workshop on computationally reproducible research at MIT.
vasp-postprocess
Calculate structural and electronic data using the output files from VASP