Querying
Scientific read endpoints live under /api/v1/scientific/*. Default
local deployments allow anonymous scientific reads.
If the database is empty, these endpoints can return empty records
arrays. Load Demo Data first if you want guaranteed
non-empty examples.
Curl Examples
# Species search by SMILES.
curl -G "http://127.0.0.1:8010/api/v1/scientific/species/search" \
--data-urlencode "smiles=C"
# Thermo search by SMILES.
curl -G "http://127.0.0.1:8010/api/v1/scientific/thermo/search" \
--data-urlencode "smiles=C"
# Kinetics search by reactants/products.
curl -G "http://127.0.0.1:8010/api/v1/scientific/kinetics/search" \
--data-urlencode "reactants=[CH3]" \
--data-urlencode "reactants=[H][H]" \
--data-urlencode "products=C" \
--data-urlencode "products=[H]"
Always URL-encode bracketed SMILES with --data-urlencode; otherwise
shells and curl can interpret brackets as URL ranges.
Python Example
Install the local Python client once:
pip install -e ./clients/python
Then run the guided read demo:
python clients/python/examples/scientific_reads.py \
--base-url http://127.0.0.1:8010/api/v1 \
--smiles "C" \
--reactant "[CH3]" --reactant "[H][H]" \
--product "C" --product "[H]"
The example prints primary public refs such as species refs, reaction-entry refs, kinetics refs, thermo refs, geometry refs, and level-of-theory refs. Use those refs for follow-up reads.