EASME Base - Experiment Workflow

New Experiment Config

Quick Start from Preset

Experiment Identity

Name *

Tag lowercase, dots only

Description

Input Data

Source

Protein Keys Comma-separated UniProt accessions or easme.key identifiers

Evolution Parameters

Population Size

Generations

Elitism Preserve best individual each generation

Selection

Mutation

Recombination

Mutation Rate

Crossover Rate

Fitness Evaluation

Primary Fitness Function

Fitness Weights (multi-objective optimization)

Define weights for multi-objective fitness (e.g., alignment: 0.7, stability: 0.3)

OpenMM Molecular Dynamics Simulation

Enable Simulation

Platform

Temperature (K)

Steps

Step Size (ps)

Forcefield

Minimize First

Custom Software Evaluation

Define external software evaluators that return fitness scores. Each evaluator runs as a subprocess and must return a numeric value to stdout or a results file.

Each evaluator is invoked as: <binary> <input_flag> /tmp/candidate.fasta <output_flag> /tmp/result.dat <args>
The fitness score is extracted per the chosen method and weighted into the multi-objective total.

Triage

Triage applies pre-filters to candidate sequences before full fitness evaluation, reducing computational load.

Triage Checks

K-mer Scoring (fast sequence similarity filter) Sequence Correctness UNAVAILABLE: ESC-002 Aggregation Filter UNAVAILABLE: ESC-002

Survivors Maximum sequences passing triage per generation (0 = no limit)

EVOLAB

EASME.CORE:DESIGNER

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