ahlawat-paramvir

Pinned Repositories

bamboo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
Language:Python00
charge_transfer_nnp
Graph neural network potential with charge transfer
Language:Python00
converts
Language:Jupyter Notebook00
e3_diffusion_for_molecules
Language:Python00
emp
Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors
Language:C++00
MLIP-Perovskites
Language:Jupyter Notebook00
plumed2
plumed 2
Language:C++00

ahlawat-paramvir's Repositories

ahlawat-paramvir/bamboo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
Language:Python00
ahlawat-paramvir/charge_transfer_nnp
Graph neural network potential with charge transfer
Language:Python00
ahlawat-paramvir/converts
Language:Jupyter Notebook00
ahlawat-paramvir/e3_diffusion_for_molecules
Language:Python00
ahlawat-paramvir/emp
Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors
Language:C++00
ahlawat-paramvir/MLIP-Perovskites
Language:Jupyter Notebook00
ahlawat-paramvir/plumed2
plumed 2
Language:C++00