kevingreenman
Asst. Prof. @ CatholicTech | Ph.D. in ChemE + Computation @ MIT
CatholicTechCambridge, MA + Castel Gandolfo, Italy
Pinned Repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
amd_property_models
Property prediction models for the DARPA AMD Project at MIT
awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
chemprop
Message Passing Neural Networks for Molecule Property Prediction
chemprop-demo
Demo of Chemprop for the nanoHUB Hands-on Data Science and Machine Learning Training Series
PatentChem
Downloads USPTO patents and finds molecules related to keyword queries
uvvisml
Predict optical properties of molecules with machine learning.
protein-uq
Benchmarking uncertainty quantification methods on proteins.
ML4MolEng_Spring2022
Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2022).
kevingreenman's Repositories
kevingreenman/awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
kevingreenman/chemprop
Message Passing Neural Networks for Molecule Property Prediction
kevingreenman/amd_property_models
Property prediction models for the DARPA AMD Project at MIT
kevingreenman/awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
kevingreenman/chemprop-demo
Demo of Chemprop for the nanoHUB Hands-on Data Science and Machine Learning Training Series
kevingreenman/vasp-postprocess
Calculate structural and electronic data using the output files from VASP
kevingreenman/2021_QryptoQuHackers
Team QryptoQuHackers (iQuHACK 2021)
kevingreenman/BInGaN-JAP2019
kevingreenman/kevingreenman.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
kevingreenman/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)
kevingreenman/awesome-self-driving-labs
A curated list of self-driving laboratories that combine hardware automation and artificial intelligence to accelerate scientific discovery.
kevingreenman/awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
kevingreenman/coronavirus_data
kevingreenman/FLIP
A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design
kevingreenman/molssi_best_practices_workshop
kevingreenman/plotmol
Interactive plotting of data annotated with molecule structures.
kevingreenman/rdkit
The official sources for the RDKit library
kevingreenman/repro_mit
This repo is for teaching a workshop on computationally reproducible research at MIT.