Pinned Loading

1. halex halex Public

   Hamiltonian Learning for Excited States

   Python 3

2. stda_torch stda_torch Public

   sTDA implemented in PyTorch

   Python 1

3. Molecolab-Pisa/excipy Molecolab-Pisa/excipy Public

   Machine learning models for a fast estimation of excitonic Hamiltonians

   Python 2

4. Molecolab-Pisa/GPX Molecolab-Pisa/GPX Public

   Gaussian Process Regression in JAX

   Python 7 1

5. Molecolab-Pisa/moldex Molecolab-Pisa/moldex Public

   Molecular Descriptors in JAX

   Python

6. gamdce2 gamdce2 Public

   Fast GaMD Reweighting with 2nd Order Cumulant Expansion

   Fortran