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awsome-domain-adaptation

A collection of AWESOME things about domian adaptation

batterydatabase

batterygui

bayesian_optimization_material_design

Accelerated Design of Layered Materials with Bayesian Optimization

bayesianoptimization

A Python implementation of global optimization with gaussian processes.

beautifybasedongan

GAN-Based Facial Attractiveness Enhancement

benchmarking-gnns

Repository for benchmarking graph neural networks

bert_language_understanding

Pre-training of Deep Bidirectional Transformers for Language Understanding: pre-train TextCNN

bertos

BERTOS: transformer for oxidation state prediction

biomagdsb

This repository contains the codes to run the nuclei segmentation pipeline of the BIOMAG group inspired by Kaggle's Data Science Bowl 2018 competition

blmm

Language model for materials composition generation

can_machine_learning_find_extraordinary_materials

Complimentary code for publication "Can machine learning find extraordinary materials?"

ccl_cmrc2017

第一届“讯飞杯”中文机器阅读理解评测参考模型

cdan

Code release for "Conditional Adversarial Domain Adaptation" (NIPS 2018)

cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

char-rnn

Multi-layer Recurrent Neural Networks (LSTM, GRU, RNN) for character-level language models in Torch

chemdash

Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments

chemical_vae

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

chemts

Molecule Design using Monte Carlo Tree Search with Neural Rollout

citrine_ml_tut

ML tutorials from Citrine (http://www.citrine.io/blog/?offset=1434641580000)

clever

A framework for 3D molecular fields calculations

cmrc2017

The First Evaluation Workshop on Chinese Machine Reading Comprehension (CMRC 2017)

cnn-on-atomic-energies

Neural network approach for predicting crystal formation energies

cocktail-party-deep-learning

Cocktail party problem solution using deep learning

constrained-bayesian-optimisation-for-automatic-chemical-design

Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml/2019/sc/c9sc04026a

conv_arithmetic

A technical report on convolution arithmetic in the context of deep learning

cryspy

Website and document: https://tomoki-yamashita.github.io/CrySPY

crystal-composition-transformer

Code of Crystal Composition Transformer

crystal-structure-classification