sergeyanufriev Goto Github PK

mlops

MLOps course

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

mol_gan

Small molecules generation task

molecule-autoencoder

A project to enable optimization of molecules by transforming them to and from a continuous representation.

molgan

Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs

neural-fingerprint

Convolutional nets which can take molecular graphs of arbitrary size as input.

normalizing_flows

Normilising flows generative models

normalizing_flows-1

Pytorch implementations of density estimation algorithms: BNAF, Glow, MAF, RealNVP, planar flows

numpy-ml

Machine learning, in numpy

optimization

Custom Gym Enviroment for optimization problems

phd-thesis-template

A LaTeX / XeLaTeX / LuaLaTeX PhD thesis template for Cambridge University Engineering Department (CUED)

qsar-tools

Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data

rdkit

The official sources for the RDKit library

rdkit-tutorials

Tutorials to learn how to work with the RDKit

rdkit_blog

RDKit related blog posts, notebooks, and data.

reinforcement-learning

Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.

scikit-chem

A high level cheminformatics package for the Scientific Python stack, built on RDKit.

scikit-feature

open-source feature selection repository in python (DMML Lab@ASU)

scikit-learn

scikit-learn: machine learning in Python

scikit-learn-videos

Jupyter notebooks from the scikit-learn video series

segment_fluids

sirms

Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors

sklearn-deap

Use evolutionary algorithms instead of gridsearch in scikit-learn

stanford_dl_ex

Programming exercises for the Stanford Unsupervised Feature Learning and Deep Learning Tutorial

teaching_git

tensorflow-examples

TensorFlow Tutorial and Examples for Beginners with Latest APIs

thesis

ugm_2016

Materials from the 2016 RDKit UGM

vvedenie-mashinnoe-obuchenie

:memo: Подборка ресурсов по машинному обучению