Pinned Repositories
fast-finedtuned-forcefields
Toolkit for rapidly assembling forcefields on HPC
auto-dynamics
AutoDynamics
equiformer
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
hello-world
ipcsp
Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
ocp
https://opencatalystproject.org/
rhana
crystal structure analysis with RHEED and ML
sad-monte-carlo
Monte Carlo simulation using Stochastic Approximation Monte Carlo with a Dynamical update factor
tree-of-thought-llm
Official Implementation of "Tree of Thoughts: Deliberate Problem Solving with Large Language Models"
HenrySprueill's Repositories
HenrySprueill/ocp
https://opencatalystproject.org/
HenrySprueill/rhana
crystal structure analysis with RHEED and ML
HenrySprueill/auto-dynamics
HenrySprueill/AutoDynamics
HenrySprueill/equiformer
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
HenrySprueill/tree-of-thought-llm
Official Implementation of "Tree of Thoughts: Deliberate Problem Solving with Large Language Models"
HenrySprueill/ipcsp
Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
HenrySprueill/fast-finedtuned-forcefields
Toolkit for rapidly assembling forcefields on HPC
HenrySprueill/sad-monte-carlo
Monte Carlo simulation using Stochastic Approximation Monte Carlo with a Dynamical update factor
HenrySprueill/hello-world