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10708_project

Project for CMU 10-708 Probalistic Graph Models Spring 2022

actual-server

Actual's server

cg-schnet

cG-SchNet - a conditional generative neural network for 3d molecular structures

char-rnn

Multi-layer Recurrent Neural Networks (LSTM, GRU, RNN) for character-level language models in Torch

fast_n_body_simulation

first-contributions

🚀✨ Help beginners to contribute to open source projects

kamel-lobe

Kernel-Averaging Method to Eliminate Length-of-Bin Effects (KAMEL-LOBE)

linear_regression

mdpilot

moldyml

Repository for developing, training, and deploying machine learning models for molecule dynamic simulations

nmp_qc

Neural Message Passing for Computer Vision

oareactdiff

An object-aware diffusion model for generating chemical reactions

the-photoswitch-dataset

Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://arxiv.org/abs/2008.03226

tmqm_meth_methanol

Houses code for high-throughput screening of homogeneous catalysts for activating methane