bert-loves-chemistry

Chem models

A collection of pre-trained BERT-like models applied to chemical data for drug design and other applications.

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

GitHub

410 stars
8 watching
63 forks
Language: Jupyter Notebook
last commit: 27 days ago
Linked from 1 awesome list

bertchemical-modellingchemical-smiles-datahuggingface

Backlinks from these awesome lists:

Related projects:

Repository Description Stars
astrazeneca/chemicalx A deep learning library for predicting the effects of combining two drugs 714
fair-chem/fairchem A collection of machine learning methods and tools for materials science and quantum chemistry. 879
bjodah/chempy A comprehensive Python package for chemistry calculations and properties 557
cdk/cdk A Java library for cheminformatics and bioinformatics, providing data structures, algorithms, and tools for analyzing molecules and reactions. 496
kamalkraj/bert-ner An implementation of named entity recognition using Google's BERT model for the CoNLL-2003 dataset and Python. 1,211
jrash/chemmodlab A suite of methods for fitting machine learning models and validating their performance in drug discovery applications. 15
abdulk084/smiles2vec An implementation of a deep learning model for predicting chemical properties from molecular structure data 30
sysbiochalmers/gecko A toolbox for incorporating enzyme constraints into genome-scale models of biological systems 67
allenai/scibert A BERT model trained on scientific text for natural language processing tasks 1,526
jvalegre/robert Automated machine learning protocols for cheminformatics using Python 38
dbmdz/berts Provides pre-trained language models for natural language processing tasks 155
calebbell/fluids A comprehensive Python library for simulating fluid dynamics in various engineering fields. 361
tonianelope/multilingual-bert Investigating multilingual language models for Named Entity Recognition in German and English 14
elephantmipt/bert-distillation A high-level API for distilling BERT models to create smaller, more efficient variants with reduced training time and improved inference speed. 75
thunlp-aipoet/bert-ccpoem A BERT-based pre-trained model for Chinese classical poetry 145