Pinned Repositories
aspire_opt
Interface to empirical optimizers for reaction condition optimization.
ATMOxide
Amine-templated metal/metalloid oxdes
CompAugCycleGAN
Augmented CycleGAN used for generating chemical compositions
CrystalGraph
Finite graph representations for topological crystals
ehull
energy above the convex hull
ESCALATE
ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.
LLM_organic_synthesis
ontosynthesis
simulator-aspire-poc
whygreedy
qai222's Repositories
qai222/LLM_organic_synthesis
qai222/CrystalGraph
Finite graph representations for topological crystals
qai222/whygreedy
qai222/ontosynthesis
qai222/simulator-aspire-poc
qai222/ehull
energy above the convex hull
qai222/aspire_opt
Interface to empirical optimizers for reaction condition optimization.
qai222/ATMOxide
Amine-templated metal/metalloid oxdes
qai222/ESCALATE
ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.
qai222/LLaMA-Adapter
Fine-tuning LLaMA to follow Instructions within 1 Hour and 1.2M Parameters
qai222/ALLiS_app
dash app for active learning ligand search
qai222/chemicaldiagram
Dealing with ChemicalDiagram from CSD API using networkx.
qai222/ChemScraper
Scraping chemical vendors for pricing/availability/property info.
qai222/CompAugCycleGAN
Augmented CycleGAN used for generating chemical compositions
qai222/.github
qai222/ALLiS
Active Learning Ligand Selection
qai222/EscalatePlumbing
qai222/latmatch
qai222/libsyn_tools
qai222/Liquid-Handler
qai222/LLaMA2-Accessory
An Open-source Toolkit for LLM Development
qai222/ocelot_api
qai222/ontoCI
qai222/ord-data
Official data repository for the Open Reaction Database
qai222/ord_diff
compare two ORD messages
qai222/ord_submission
qai222/osc_hpmc
Hard particle Monte Carlo (HPMC) for organic semiconductor (OSc) molecules
qai222/plotx
plot excited states
qai222/python-betterproto-ord
betterproto for ORD messages
qai222/reaction_balancer