gabriele16

gromacs-cosmo

COSMO version of gromacs

abinitio-train

An end-to-end workflow to train neural network potentials and from ab initio molecular dynamics simulations

cp2k

Quantum chemistry and solid state physics software package

finance_ml

Advances in Financial Machine Learning

jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

machine-learning-book

Code Repository for Machine Learning with PyTorch and Scikit-Learn

Machine-Learning-for-Algorithmic-Trading-Second-Edition

Code and resources for Machine Learning for Algorithmic Trading, 2nd edition.

nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

nequip-C-fortran-interface

Fortran - C/C++ interface for nequip

osmotic_transport_scaling_laws

Workflow for the calculation of osmotic transport coefficients from enhanced sampling simulations

gabriele16/osmotic_transport_scaling_laws

Workflow for the calculation of osmotic transport coefficients from enhanced sampling simulations

gabriele16/abinitio-train

An end-to-end workflow to train neural network potentials and from ab initio molecular dynamics simulations

gabriele16/cp2k

Quantum chemistry and solid state physics software package

gabriele16/finance_ml

Advances in Financial Machine Learning

gabriele16/jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

gabriele16/machine-learning-book

Code Repository for Machine Learning with PyTorch and Scikit-Learn

gabriele16/Machine-Learning-for-Algorithmic-Trading-Second-Edition

Code and resources for Machine Learning for Algorithmic Trading, 2nd edition.

gabriele16/ML_Finance_Codes

Machine Learning in Finance: From Theory to Practice Book

gabriele16/nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

gabriele16/nequip-C-fortran-interface

Fortran - C/C++ interface for nequip

gabriele16/pair_nequip

gabriele16/CNTK

Microsoft Cognitive Toolkit (CNTK), an open source deep-learning toolkit

gabriele16/data_ml_quant

gabriele16/financial-machine-learning

A curated list of practical financial machine learning tools and applications.

gabriele16/gromacs-cosmo

gabriele16/LK99_structure

crystal structure of LK99, a high T_c candidate

gabriele16/pytwist