Pinned Repositories
af2bind_prod
cgnet
learning coarse-grained force fields
hydrophobicity-features
Repository containing analysis codes for implementing results from Dallin, Kelkar, and Van Lehn (Chemical Science 2023)
markov-chain-demo
This repository contains codes to demonstrate the stationarity of Markov chains
MolGemini
observable-matching
Force-matching Coarse-Graining with mean-forces along chosen observables
torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
atharva-kelkar's Repositories
atharva-kelkar/hydrophobicity-features
Repository containing analysis codes for implementing results from Dallin, Kelkar, and Van Lehn (Chemical Science 2023)
atharva-kelkar/af2bind_prod
atharva-kelkar/cgnet
learning coarse-grained force fields
atharva-kelkar/markov-chain-demo
This repository contains codes to demonstrate the stationarity of Markov chains
atharva-kelkar/MolGemini
atharva-kelkar/observable-matching
Force-matching Coarse-Graining with mean-forces along chosen observables
atharva-kelkar/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers