schema_version = "1.1"

[task]
name = "apodex-ai/task-064-protein-tremd-sampling"
description = "小蛋白的温度副本交换分子动力学（T-REMD）增强采样（多副本 + 温度阶梯 + 交换接受率 + 各温度势能分布）"
authors = [{ name = "Apodex AI & GADE Union" }]
keywords = []

[metadata]
frontierchallenge_task_id = "task_064_protein_tremd_sampling"
difficulty = "hard"
category = "仿真建模 / 增强采样分子动力学（温度副本交换）。\n工作类别：建立多副本温度阶梯 → 并行 REMD 模拟并让副本按 Metropolis 准则交换 → 产出多副本数据并分析交换统计（接受率）与各温度势能分布。"

[agent]
user = "mambauser"
timeout_sec = 3600.0
network_mode = "public"

[verifier]
timeout_sec = 300.0

[verifier.env]
JUDGE_API_KEY = "${JUDGE_API_KEY}"
JUDGE_API_ENDPOINT = "${JUDGE_API_ENDPOINT}"
JUDGE_MODEL = "gpt-5.6-sol"
JUDGE_REASONING_EFFORT = "high"
JUDGE_REPEATS = "3"

[environment]
network_mode = "public"
build_timeout_sec = 3600.0
cpus = 2
memory_mb = 4096
storage_mb = 2048
gpus = 0

# LOCAL_SMOKE_ONLY: agent network changed to public because macOS Docker cannot enforce Harbor allowlists.