marcel milani's repositories
Amb_Git
Respositorio para assign
boltzmann-machines
Boltzmann Machines in TensorFlow with examples
calc-ir-spectra-from-lammps
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
cp2k
Quantum chemistry and solid state physics software package
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
DL4MolecularGraph
Literature of deep learning for graphs in Chemistry and Biology
hyperopt
Distributed Asynchronous Hyperparameter Optimization in Python
isicle
In silico chemical library engine for high-accuracy chemical property prediction
Merlion
Merlion: A Machine Learning Framework for Time Series Intelligence
mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
moses
MOSES: A Benchmarking Platform for Molecular Generation Models
neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
nwchem
NWChem: Open Source High-Performance Computational Chemistry
OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
openTSNE
Extensible, parallel implementations of t-SNE
pcsx2
PCSX2 - The Playstation 2 Emulator
pycp2k
Python Cp2k interface
pyprobml
Python code for "Machine learning: a probabilistic perspective" (2nd edition)
python-ternary
:small_red_triangle: Ternary plotting library for python with matplotlib
reptile-torch
Torch Implementation of Reptile
statsintro_python
Python modules and IPython Notebooks, for the book "Introduction to Statistics With Python"