Name: marcel milani
Type: User
Company: MSSM (Modeling and Simulation of Molecular Systems)
Bio:
Pharmacist. Mainly focused on Cheminformatics, AI focused on pharmaceutical issues and medicinal chemistry.
Twitter: marcel_milani
Location: Brazil, Rio de Janeiro
Blog: https://www.linkedin.com/in/marcel-milani/
marcel milani's Projects
Respositorio para assign
Boltzmann Machines in TensorFlow with examples
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
Quantum chemistry and solid state physics software package
This repository contains implementations and illustrative code to accompany DeepMind publications
Literature of deep learning for graphs in Chemistry and Biology
Distributed Asynchronous Hyperparameter Optimization in Python
In silico chemical library engine for high-accuracy chemical property prediction
Merlion: A Machine Learning Framework for Time Series Intelligence
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
MOSES: A Benchmarking Platform for Molecular Generation Models
Convolutional nets which can take molecular graphs of arbitrary size as input.
NWChem: Open Source High-Performance Computational Chemistry
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Extensible, parallel implementations of t-SNE
PCSX2 - The Playstation 2 Emulator
Python Cp2k interface
Python code for "Machine learning: a probabilistic perspective" (2nd edition)
:small_red_triangle: Ternary plotting library for python with matplotlib
Torch Implementation of Reptile
Python modules and IPython Notebooks, for the book "Introduction to Statistics With Python"