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3d-mil-qsar

Python source code for 3D/MI/QSAR models

3d_molecules

Given a chemical formula in smiles format, converts it to 3D model

alvis-docker

Dockerizing Alvis and its components

alvisae

atlas

ATLAS - Three commands to start analyzing your metagenome data

autodock-vina

AutoDock Vina

aviator

awesome-foodai

AI Research Resources in Food Domain

bert

TensorFlow code and pre-trained models for BERT

beta-version

bglb_family

Quantitative prediction of mutant function across an enzyme family

bidd-molmap

MolMap: An Efficient Convolutional Neural Network Based Molecular Deep Learning Tool

biobert

BioBERT: a pre-trained biomedical language representation model

biobert-pretrained

BioBERT: a pre-trained biomedical language representation model for biomedical text mining

biodegradability

Classification model using R to predict the biodegradability of various chemicals

biodegradable_chemicals

Learning models on a data set containing values for 41 attributes (molecular descriptors) used to classify 1055 chemicals into 2 classes (ready and non-ready biodegradable)

biomedr

generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.

bitterpredict1

BitterPredict Matlab Code

bittersweet

cgrtools

CGRs, molecules and reactions manipulation

chembench

MoleculeNet benchmark dataset & MolMapNet dataset

chemprop

Message Passing Neural Networks for Molecule Property Prediction

chemtagger

cimtools

component-contribution

Standard reaction Gibbs energy estimation for biochemical reactions

controlled-peptide-generation

source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics"

covid19_qa_baseline

DataFountain疫情问答助手keras-bert实现

d2

Speed virtual screening by 50X

datafountain-sentiment-recognition

datafountain 疫情期间网民情绪识别 43 名 模型分享

deep-forest

An implementation of Deep Forest 2021.2.1.