antwiser
Ph.D. student in computer science at the NUDT. Interested in artificial intelligence in drug design. subaccount: @Jiacai-Yi
National University of Defense TechnologyChangsha, Hunan
Pinned Repositories
ADMETlab-3.0
With enhancements in ADMET training data, the utilization of more robust model frameworks, the integration of specific API functionalities, and the provision of uncertainty assessments, ADMETlab 3.0 has significantly expanded its capabilities, aiding medicinal chemists in accelerating the drug development process.
AI-for-Drug-Design
A project dedicated to tracking the latest advancements in AI for drug design. We collect and curate the latest resources and data, provide analysis and processing tools, and promote the application and development of AI in drug design.
antwiser
My GitHub profile header.
ChemFH
Utilizing high-quality database and Directed Message Passing Neural Network (DMPNN) architectures, ChemFH enhances the efficiency of drug R&D by achieving reliable detection of frequent hitters in colloidal aggregate, firefly luciferase reporter enzyme inhibition, fluorescence, chemical reactivity, and promiscuity.
ChemMORT
An Automatic ADMET Optimization Platform Using Deep Learning and Multi-Objective Particle Swarm Optimization
OptADMET
antwiser's Repositories
antwiser/OptADMET
antwiser/ChemFH
Utilizing high-quality database and Directed Message Passing Neural Network (DMPNN) architectures, ChemFH enhances the efficiency of drug R&D by achieving reliable detection of frequent hitters in colloidal aggregate, firefly luciferase reporter enzyme inhibition, fluorescence, chemical reactivity, and promiscuity.
antwiser/ADMETlab-3.0
With enhancements in ADMET training data, the utilization of more robust model frameworks, the integration of specific API functionalities, and the provision of uncertainty assessments, ADMETlab 3.0 has significantly expanded its capabilities, aiding medicinal chemists in accelerating the drug development process.
antwiser/antwiser
My GitHub profile header.
antwiser/AI-for-Drug-Design
A project dedicated to tracking the latest advancements in AI for drug design. We collect and curate the latest resources and data, provide analysis and processing tools, and promote the application and development of AI in drug design.
antwiser/ChemMORT
An Automatic ADMET Optimization Platform Using Deep Learning and Multi-Objective Particle Swarm Optimization