qai222 Goto Github PK
Name: Qianxiang Ai
Type: User
Company: MIT
Twitter: QaiAlex
Qianxiang Ai's Projects
allis
Active Learning Ligand Selection
allis_app
dash app for active learning ligand search
aminefinder
Identify amine from IUPAC names.
aspire_opt
Interface to empirical optimizers for reaction condition optimization.
atmoxide
Amine-templated metal/metalloid oxdes
chemicaldiagram
Dealing with ChemicalDiagram from CSD API using networkx.
chemscraper
Scraping chemical vendors for pricing/availability/property info.
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.
escalateplumbing
foptics
gixdsolver
latmatch
liquid-handler
llama-adapter
Fine-tuning LLaMA to follow Instructions within 1 Hour and 1.2M Parameters
llama2-accessory
An Open-source Toolkit for LLM Development
llm_organic_synthesis
ontoci
ontosynthesis
ord_diff
compare two ORD messages
osc_hpmc
Hard particle Monte Carlo (HPMC) for organic semiconductor (OSc) molecules
plotx
plot excited states
python-betterproto-ord
betterproto for ORD messages
reaction_balancer
simulator-aspire-poc
wavemap
Color map for describing the undulation of molecular surface
whygreedy
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