Nick Hattrup's repositories
actual-server
Actual's server
OAReactDiff
An object-aware diffusion model for generating chemical reactions
KAMEL-LOBE
Kernel-Averaging Method to Eliminate Length-of-Bin Effects (KAMEL-LOBE)
first-contributions
🚀✨ Help beginners to contribute to open source projects
MolDyML
Repository for developing, training, and deploying machine learning models for molecule dynamic simulations
10708_Project
Project for CMU 10-708 Probalistic Graph Models Spring 2022
tmQM_meth_methanol
Houses code for high-throughput screening of homogeneous catalysts for activating methane
cG-SchNet
cG-SchNet - a conditional generative neural network for 3d molecular structures
The-Photoswitch-Dataset
Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://arxiv.org/abs/2008.03226
nmp_qc
Neural Message Passing for Computer Vision
char-rnn
Multi-layer Recurrent Neural Networks (LSTM, GRU, RNN) for character-level language models in Torch