Topic: molecular-design Goto Github
Some thing interesting about molecular-design
Some thing interesting about molecular-design
molecular-design,Deep Learning-Based Property Prediction and Generation of Molecules
User: arikguitarik
molecular-design,List of Molecular and Material design using Generative AI and Deep Learning
User: aspirincode
molecular-design,Multi-objective generative AI for designing novel brain-targeting small molecules.
User: ayushnoori
molecular-design,Experiments with expanded ensembles to explore chemical space
Organization: choderalab
Home Page: http://perses.readthedocs.io
molecular-design,Data, scripts, and software tools for automated evaluation of Ru-based catalysts for olefin metathesis.
Organization: denoptim-project
molecular-design,DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
Organization: denoptim-project
molecular-design,CAMD of a replacement for R134a refrigerant
User: douglasadams201199
molecular-design,Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
User: gncs
molecular-design,MARS, Molecular Assembling and Representation Suite, is a program for general purpose computer aided molecular design. This program uses an integer arry data structure to store the information of atom type, atom connectivity, and bond order of a molecule. There are also subroutines that can be used to modify the data structure in order to generate new molecules. This program is espicially useful for computer molecular design problems.
User: hsuhsuanhao
molecular-design,GaudiMM: A modular optimization platform for molecular design
Organization: insilichem
Home Page: http://gaudi.readthedocs.io
molecular-design,My PhD dissertation
User: jaimergp
molecular-design,Molecular generation using diffusion models and autoregressive transformer models
User: lamm-mit
Home Page: https://github.com/lamm-mit/MoleculeDiffusionTransformer
molecular-design,GPT (Generative Pre-trained Transformer) for de novo molecular design by enforcing specified targets
User: vv123
molecular-design,An interactive data exploration tool for json structured ionic liquid data from ILThermo (NIST)
User: wesleybeckner
molecular-design,Molecular design of solvents coupling variational autoencoder and nonlinear programming
User: zwang1995
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