de-novo-design

There are 0 repository under de-novo-design topic.

denoptim-project / DENOPTIM
DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
molecular-design molecular-modeling computational-chemistry de-novo-design virtual-screening genetic-algorithm combinatorial
Language:Java 33
plissonf / ML-guided-discovery-and-design-of-non-hemolytic-peptides
Classification models for hemolytic nature and hemolytic activity predictions in peptide/protein sequences
antimicrobial-peptides applicability-domain de-novo-design hemolytic-peptides machine-learning-algorithms qsar
Language:Jupyter Notebook 13
gkxiao / QBMG
QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network
de-novo-design deep-learning
Language:HTML 4
arthurcerveira / MTDD-Evaluation-Framework
Evaluation Framework for AI-driven Molecular Design of Multi-target Drugs
drug-discovery qsar de-novo-design
Language:Python 0
denoptim-project / catalyst_evaluator
Data, scripts, and software tools for automated evaluation of Ru-based catalysts for olefin metathesis.
catalysis de-novo-design molecular-descriptors molecular-design ruthenium virtual-screening olefin-metathesis
Language:Roff 0

denoptim-project / DENOPTIM