Inverse Design (Free)

Inverse Design (Free Search)

Enter target Young's modulus (kPa) and ionic conductivity (mS/cm). The system searches and returns recommended formulations (types, SMILES, and weights).

Target properties

Target Young's modulus (kPa)

Use your experimental target value; decimals allowed.

Target ionic conductivity (mS/cm)

Use your experimental target value; decimals allowed.

Allow additive (slot 4) When unchecked, the search prefers formulations without an additive.

Search parameters

Advanced parameters (optional)

n_trials

More trials are slower and often yield more stable results.

batch_eval

Batch size per evaluation round (throughput).

topk (return count)

Number of candidates returned (larger values are slower).

alpha (E vs S)

Trade-off: closer to 1 favors Young's modulus; closer to 0 favors ionic conductivity.

seed

Random seed; changing it alters the search path.

Results

Best candidate

Predicted Young's modulus (kPa)

Predicted ionic conductivity (mS/cm)

Similarity distance

Lower values usually mean closer to the training distribution (reference only).

Slot	Type	SMILES	Weight

More candidates (Top-K)

Compare alternate formulations; the table shows up to the first 20 rows.

Rank	type1	type2	type3	type4	weight1	weight2	weight3	weight4	pred_label1	pred_label2	dist_z