schema_version = "1.1"

[task]
name = "apodex-ai/task-063-alanine-metadynamics-fes"
description = "多肽两个主链二面角的增强采样与二维自由能面（真空丙氨酸二肽，φ/ψ 的 metadynamics，1 ns → 2D FES）"
authors = [{ name = "Apodex AI & GADE Union" }]
keywords = []

[metadata]
frontierchallenge_task_id = "task_063_alanine_metadynamics_fes"
difficulty = "hard"
category = "仿真建模 / 增强采样分子动力学模拟 + 自由能面重构与作图。\n工作类别：真空多肽建模 → 对两个二面角施加 metadynamics 偏置的 MD 模拟 → 由沉积的高斯（HILLS）重构 (φ, ψ) 二维自由能面并作图。"

[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.