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Farhad Ramezanghorbani's Projects

ase_ani icon ase_ani

ANI-1 neural net potential with python interface (ASE)

auto_martini icon auto_martini

Automatic MARTINI parametrization of small organic molecules

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

freesolv icon freesolv

Experimental and calculated small molecule hydration free energies

genre_classifier icon genre_classifier

Progressive rock vs non-prog music genre classification with 1D-CNN, LSTM, and CRNN(GRU)

kaolin icon kaolin

A PyTorch Library for Accelerating 3D Deep Learning Research

peg_cg icon peg_cg

PEG/PEO Coarse-grained model optimized for protein-polymer interactions

polytopbuilder icon polytopbuilder

Topology/coordinate builder for protein-polymer conjugate CG models

pytorch icon pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

qcengine icon qcengine

Quantum chemistry program executor and IO standardizer (QCSchema).

sketchmap icon sketchmap

Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular

tensorflow icon tensorflow

An Open Source Machine Learning Framework for Everyone

thefuck icon thefuck

Magnificent app which corrects your previous console command.

torchani icon torchani

Accurate Neural Network Potential on PyTorch

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