MrML1986

MrML1986's Stars

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.6k1431.7k1.7k

• lmmentel/awesome-python-chemistry

  A curated list of Python packages related to chemistry

  1.2k5611214

• WillKoehrsen/machine-learning-project-walkthrough

  An implementation of a complete machine learning solution in Python on a real-world dataset. This project is meant to demonstrate how all the steps of a machine learning pipeline come together to solve a problem!

  Language:Jupyter Notebook1.1k754560

• Mariewelt/OpenChem

  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

  Language:Python6843617114

• chainer/chainer-chemistry

  Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

  Language:Python6415492132

• AmazaspShumik/sklearn-bayes

  Python package for Bayesian Machine Learning with scikit-learn API

  Language:Jupyter Notebook5143342119

• mcs07/ChemDataExtractor

  Automatically extract chemical information from scientific documents

  Language:Python3121828114

• EBjerrum/SMILES-enumeration

  SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

  Language:Python22110871

• knime/knime-sdk-setup

  KNIME Analytics Platform - SDK Setup

  16718071

• Autodesk/molecular-design-toolkit

  Notebook-integrated tools for molecular simulation and visualization

  Language:Python1653211337

• mcs07/MolVS

  Molecule Validation and Standardization

  Language:Python163192851

• mcs07/CIRpy

  Python wrapper for the NCI Chemical Identifier Resolver (CIR)

  Language:Python12012928

• mcs07/ChemSpiPy

  Python wrapper for the ChemSpider API

  Language:Python113172127

• rhnvrm/labeled-tweet-generator

  Search for tweets and download the data labeled with its polarity in CSV format

  Language:HTML1119475

• gadsbyfly/PyBioMed

  machine learning, molecular descriptor

  Language:Python10951362

• connorcoley/scscore

  Language:Roff93111243

• tmacdou4/2019-nCov

  Efforts towards proposing a potentially highly active molecule against a target protein of the 2019 Novel Coronavirus

  Language:Jupyter Notebook783234

• mrdbourke/python-list-comprehensions-tutorial

  This is the code to go along with the Python list comprehensions video by Daniel Bourke on YouTube.

  Language:Jupyter Notebook468020

• girke-lab/chemminetools

  ChemMine Tools: open source web framework for small molecule analysis

  Language:JavaScript36108617

• mcs07/mongodb-chemistry

  Ideas for chemical similarity searches in MongoDB.

  Language:Python26709

• LiamWilbraham/pychemlp

  Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties

  Language:Python9205

• LiamWilbraham/smilescombine

  Combinatorially combine functional groups with molecular templates

  Language:Python7226

• pashupati98/PCCLP

  Developing a machine learning model to predict critical chain length of a desired polymer corresponding to its saturated solubility parameter.

  Language:Python7101

• abhik1368/CheminfoR

  Generate Classfication RF,NB and SVM Models from SMILES data

  Language:R4317