chemoinformatics topic
GLaDOS
Web Interface for ChEMBL @ EMBL-EBI
DockStreamCommunity
molgrad
Supporting code for doi 10.1021/acs.jcim.0c01344
py4chemoinformatics
Python for chemoinformatics
smi2sdf3d
3D diverse conformers generation using rdkit
molenc
MolEnc: a molecular encoder using rdkit and OCaml.
PIDGINv2
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
chembience
A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
organic-chemistry-reaction-prediction-using-NMT
organic chemistry reaction prediction using NMT with Attention
AMIDD
Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)