Capability details
What this helps you do
Build molecular simulations with configurable forces and integrators through an application or embedded toolkit. Core, accelerator and third-party components have distinct licenses.
Catalog editorial description
View description sources
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Research classification
Physical sciences · Chemical sciences
View discipline evidence
editor · 2026-09-18 — 依据原始用途对项目与核心工具提出FORD 1.3、1.4分类；属于科研任务子集，不替代开放科研网络整体定位。
Who it is for
An intended audience has not been supplied. Check the original documentation for suitability and prerequisites.
How to use it
Follow upstream guidance and source conditions.
AIPOCH has not verified execution.
Read usage documentationInputs
- 分子体系、坐标、力/参数与积分器设置。
Outputs
- 模拟轨迹、能量及配置的观测量。
Resource type
Tool
Access conditions
- 固定Licenses.txt区分API/Reference/CPU的MIT、CUDA/OpenCL的LGPL，以及第三方独立条款；不可统一标MIT。
- GPU后端、随机数库、解析器等组件许可不同；力场/模型独立核查。未运行或验证精度。
- Community indexing of this software or analysis workflow only. External models, datasets, services and third-party components have separate terms. Installation, scientific accuracy and suitability were not validated.
View usage information sources
Inputs
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Outputs
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Access conditions
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Documentation
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Sources & versions
- Reference role
- implementation
- Last successful public check
- 2026-09-22T08:38:10.594Z
- Latest public check attempt
- 2026-09-22T08:38:10.594Z · ok
- GitHub metrics
- Stars 1,977 · checked · latest attempt 2026-09-22T08:38:10.594Z (ok)
Forks 639 · checked · latest attempt 2026-09-22T08:38:10.594Z (ok) - Latest default-branch commit
5a7a268616b55d6a85e1c804f1c38681a2756cde
Observed 2026-09-22T08:38:10.594Z- Source activity check
- fresh · last successful check 2026-09-22T08:38:10.594Z · latest attempt 2026-09-22T08:38:10.594Z (ok)
- Source status
- Active at last observation
- License
- Unknown — check the source terms
- Fixed commit
5a7a268616b55d6a85e1c804f1c38681a2756cde- Reference checked
- 2026-09-18
Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.
Related research
Build molecular simulations with configurable forces and integrators through an application or embedded toolkit. Core, accelerator and third-party components have distinct licenses.
Claims & evidence
Continue the conversation
Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.