Popular repositories Loading

1. qml-lightning qml-lightning Public

   Toolkit containing implementations of GPU-accelerated approximate kernel models and efficient atomic representations. Yields accurate models in lightning-fast time.

   Cuda 12 1

2. cuda_mace cuda_mace Public

   CUDA implementations of MACE models

   C++ 10 1

3. FreeEnergyDerivatives FreeEnergyDerivatives Public

   Toolkit containing explicit classical free energy derivatives for computing solvation (hydration) energies of molecules. Provides a no-hassle script that computes the required integrals.

   Python 7

4. pyscf pyscf Public

   Forked from pyscf/pyscf

   Python module for quantum chemistry

   Python

5. tradas_backtrader tradas_backtrader Public

   Forked from mementum/backtrader

   Python Backtesting library for trading strategies

   Python

6. openmm-qml-lightning openmm-qml-lightning Public

   C++