BigChemistry-RobotLab
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sdl-surface-tension-simulator
sdl-surface-tension-simulator PublicSDL simulator for the surface tension experiment that demonstrates autonomous discovery of target surface tension.
Python 1
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BigMixSolDB
BigMixSolDB PublicExtraction of a solubility database in solvent mixtures with an uncertainty-quantified large language model-based pipeline
Python
Repositories
- SurfPro Public
A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensemble for prediction of pCMC, air-water surface tension and more.
BigChemistry-RobotLab/SurfPro’s past year of commit activity - BigMixSolDB Public
Extraction of a solubility database in solvent mixtures with an uncertainty-quantified large language model-based pipeline
BigChemistry-RobotLab/BigMixSolDB’s past year of commit activity - phaseGP Public
A Gaussian Process library for efficient phase diagram mapping using active learning and transfer learning. Intelligently select sampling points and leverage knowledge from related systems to minimize expensive simulations and experiments.
BigChemistry-RobotLab/phaseGP’s past year of commit activity - PendantProp Public
BigChemistry-RobotLab/PendantProp’s past year of commit activity - sdl-surface-tension-simulator Public
SDL simulator for the surface tension experiment that demonstrates autonomous discovery of target surface tension.
BigChemistry-RobotLab/sdl-surface-tension-simulator’s past year of commit activity
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