Command-line reference

Both packages install a cyberrxn command. Choose one CLI installation per environment to avoid binary-name conflicts. The two implementations share the private login file and main command names.

ConfigurationCopy Anchor Link

cyberrxn auth login
cyberrxn auth status
cyberrxn usage --json
cyberrxn skill --json

auth login asks for a key without echoing it, verifies access and stores credentials privately. auth logout removes the saved login. CYBERRXN_API_KEY and CYBERRXN_BASE_URL override saved defaults. Avoid passing secrets in shell history; prefer the hidden prompt or your environment.

Evidence commandsCopy Anchor Link

cyberrxn molecule 'CCN1CCN(CO)C(=O)C1=O' --role product --limit 3
cyberrxn search --products 'CCN1CCN(CO)C(=O)C1=O' --temp 20..80
cyberrxn lookup 'C=O.CCN1CCNC(=O)C1=O>>CCN1CCN(CO)C(=O)C1=O'
cyberrxn stats --json

get <observation-id> [--raw] returns full evidence; graph <observation-id> returns relationships. similar <smiles> --threshold 0.7 finds structural analogues, not a synthesis prediction.

Chemistry commandsCopy Anchor Link

cyberrxn validate 'CCO>>CC=O' --json
cyberrxn balance '[H][H].O=O>>O' --json
cyberrxn balance 'CC(=O)OCC>>CC(=O)O.CCO' --method synrbl --json
cyberrxn convert 'O' --inchi --json
printf '%s' 'CCO' | cyberrxn transform --from smiles --to inchi --json

transform reads representation data from stdin, including multiline MOL/SDF/RXN. --allow-lossy is an explicit acknowledgment for conversions that discard information. Conversion rules.

Reports and contributionsCopy Anchor Link

report <observation-id> accepts --category, --summary, --quote and required --idempotency-key. reports lists workspace reports. contribute reads API-shaped JSON from stdin; contributions lists submissions and earned calls. These operations do not debit chemistry-call allowance.

Use cyberrxn <command> --help for the installed build's exact options. Global options include --json, --base-url and --api-key; their explicit values override defaults. JSON retains API field names and is suitable for jq or an agent pipeline.