A predictive framework for accelerated Hydrolysis Energy Predictions of Organic Molecules

Antibody paratope prediction using Graph Neural Networks with minimal feature vectors

Predict the structure of immune receptor proteins

Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate …

Tool for modelling the CDRs of antibodies

A Python CLI tool to convert PowerPoint (PPT/PPTX) files to Adobe PDF

python parser for BigSMILES line notation

Python based api for searching google web, images, calc, and currency conversion.

PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

Rifdock Library for Conformational Search

Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"

Cross-type Biomedical Named Entity Recognition with Deep Multi-task Learning

A python implementation of flux balance analysis to model microbial metabolism