aksub99

MolDQN-pytorch

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

molecular-vae

Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

bert-sentiment

Application of `BERT` to extract the portions of a tweet that represent a particular sentiment.

ML-for-Science

List of papers applying Machine Learning to scientific problems that were discussed in our weekly discussion sessions. Our primary focus is on materials science, molecular optimization and drug discovery.

chemprop

Message Passing Neural Networks for Molecule Property Prediction

FissionNet

uncertainty_guided_optimization

Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Miguel Hernández-Lobato, Yarin Gal)

aksub99.github.io

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

darknet

YOLOv4 - Neural Networks for Object Detection (Windows and Linux version of Darknet )

deepchem

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

deepfigures-open

Companion code to the paper "Extracting Scientific Figures with Distantly Supervised Neural Networks" 🤖

ElemNet

Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction

figure-separator

compound figure separation tool

google-research

Google AI Research

guacamol

Benchmarks for generative chemistry

ImageSoup

labelbox

Labelbox is the fastest way to annotate data to build and ship computer vision applications.

Mask_RCNN

Mask R-CNN for object detection and instance segmentation on Keras and TensorFlow

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

REINVENT

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

scrapers

Scrapers for COVIDScholar.org

scscore

synthetic-gen

tape

Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.

text-mined-synthesis_public

Codes for text-mined solid-state reactions dataset

torchchem

An experimental repo for experimenting with PyTorch models

twint

An advanced Twitter scraping & OSINT tool written in Python that doesn't use Twitter's API, allowing you to scrape a user's followers, following, Tweets and more while evading most API limitations.

twitter-mentions

Fetches tweets that mention papers

voicemap

Identifying people from small audio fragments