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Rouzbeh Afrasiabi's Projects

deepmatcher icon deepmatcher

Python package for performing Entity and Text Matching using Deep Learning.

gentrl icon gentrl

Generative Tensorial Reinforcement Learning (GENTRL) model

gruenifai icon gruenifai

Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space

iclr19-graph2graph icon iclr19-graph2graph

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

icml18-jtnn icon icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

libmolgrid icon libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

loopimer icon loopimer

Package for time-controlled consecutive execution of a function using threading.

mso icon mso

Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert

nistrng icon nistrng

Random Number Generator NIST Test Suite framework for python 3.6 - SAILab - University of Siena

ptype icon ptype

Probabilistic type inference

pymakr-atom icon pymakr-atom

Adds a REPL console to Atom that connects to your Pycom board. It can run code on the board or synchronize your project files.

selfies icon selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

traintorch icon traintorch

Package for live visualization of model validation metrics during training of a deep learning/machine learning model in jupyter notebooks.

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