Use the fixed FreeSolv CSV snapshot to answer a small deterministic data question. The Solver must report how many rows have experimental hydration free energy below -10 and the SMILES strings for the three rows with the lowest experimental values.
Funded scientific challenge
No valid SubmissionFreeSolv Hydration Energy Row Count Mini Task
Use the fixed FreeSolv CSV snapshot to answer a small deterministic data question. The Solver must report how many rows have experimental hydration free energy below -10 and the SMILES strings for the three rows with the lowest experimental values.
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Committed challenge
Challenge details & success criteria
The approved challenge, byte for byte as committed at funding. Solvers deliver against these sections and Guardians judge against them.
Summary
Challenge details
The authoritative input is the fixed SAMPL.csv snapshot listed below. Use the expt column as a numeric experimental hydration free energy value in kcal/mol and the smiles column as the SMILES string. Rows are identified by zero-based row index after parsing the header. The three lowest rows are selected by ascending expt, with ties broken by lower row index.
What you need to submit (Deliverables)
Each required deliverable must be included as a plain file in the Submission.
| Deliverable | Required or optional | Required content | Format or access requirements | Purpose or related criterion |
|---|---|---|---|---|
answer.json | required | dataset_sha256, row_count_below_minus_10, and lowest_three, where lowest_three is an array of objects with row_index, expt, and smiles | JSON | Machine-readable answer |
report.md | required | Brief explanation of parsing, numeric comparison, tie handling, and the final answer | Markdown | Human-readable provenance |
Inputs, Materials and References
| File or reference | Purpose | Required input or background | Link or access instructions | Version or snapshot, if relevant |
|---|---|---|---|---|
SAMPL.csv | Authoritative FreeSolv dataset for this task | Required input | Download from https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/SAMPL.csv | SHA-256 ab5895d914ee87cb563bd7b9611e869527bba45bec6b014d34dc495a0f9dcb72; 642 data rows |
The authoritative input is the byte sequence matching the specified SHA-256. Bytes with a different SHA-256 are not the fixed dataset for this bounty.
Acceptance Criteria
A Submission is valid only if all required deliverables are present and the submitted answer.json is consistent with the fixed CSV snapshot and the rules in this page. The count must include every row whose expt value is strictly less than -10. The lowest_three list must contain exactly the three rows with the lowest expt values, ordered from lowest to highest, with ties broken by lower row index.
Scoring
This is an exact-answer bounty. A valid answer has no numeric tolerance except ordinary JSON number representation of the source decimal values.
How is the winner selected?
A valid Submission wins. If multiple Submissions are valid, the winner is the Submission whose lowercase Solver address sorts first in ascending order. If no Submission is valid, the outcome is no_valid_submission.
Disqualification Conditions
A Submission is ineligible if a required deliverable is missing after the Submission is successfully retrieved and opened, if answer.json is malformed or lacks required fields, if the reported count or lowest-three rows are inconsistent with the fixed input, or if the Submission uses a different dataset or ranking rule.
Out Of Scope
This bounty does not ask for model training, new measurements, dataset curation, or any scientific claim beyond the deterministic answer from the fixed CSV.