License

The GLUED Academic License.

GLUED is released under its own custom academic-use license. Researchers at universities and non-profit institutes can use, modify, and publish results with it freely; commercial use is not permitted under this license. You can inspect the full license below.

At a glance

You may

Academic researchUniversities & public institutes
Non-profit useFor the org's non-commercial mission
Modify & integrateInto your own academic projects
Publish resultsCitation required — see below
Contribute backPull requests welcome

You may not

Commercial useFor-profit products or services
Paid work with GLUEDSimulation or consulting for hire
Bundle & sellSold, leased, or paid subscription
Re-licenseUnder different terms
Public package channelsPyPI, conda-forge, Docker Hub, …

Full license text

This is the binding text. The summary above is informational only.

GLUED Academic License — Version 1.1
GLUED ACADEMIC LICENSE
Version 1.1

Copyright (c) 2026 Marvin Taterra. All rights reserved.

PREAMBLE

GLUED is software intended for the open-research community. This license
grants broad rights to use, modify, and integrate GLUED for academic and
non-profit purposes — including incorporation into other academic or
non-profit projects — and reserves all commercial use to the GLUED
authors. Use of the Software constitutes acceptance of these terms; if
You do not accept them, You must not use, copy, modify, or distribute
the Software.

1. DEFINITIONS

1.1 "Software" means GLUED, including its source code, compiled
    artefacts, documentation, configuration files, build scripts, and
    any modifications, derivative works, or portions thereof made
    available under this license.

1.2 "You" (or "Licensee") means the individual or legal entity
    exercising rights under this license.

1.3 "Academic Use" means use of the Software:
    (a) by a degree-granting university, college, or other recognised
        institute of higher education;
    (b) by a public or private non-profit research institute whose
        primary mission is open scientific research;
    (c) by an individual researcher, student, or instructor acting in
        their capacity as a member of such an institution; or
    (d) for the purpose of research, teaching, study, coursework,
        thesis work, or scholarly publication whose results are
        intended for open publication.

1.4 "Non-Profit Use" means use of the Software by an organisation that
    is formally registered as a non-profit, charitable, or public-
    benefit entity under the laws of its jurisdiction, where such use
    is conducted in pursuit of that organisation's non-commercial
    mission.

1.5 "Permitted Use" means Academic Use or Non-Profit Use.

1.6 "Permitted Project" means any software project, dataset, library,
    pipeline, or research workflow whose own use, distribution, and
    licensing terms restrict it to Permitted Use.

1.7 "Commercial Use" means any use of the Software that is not
    Permitted Use, including, without limitation:
    (a) use by, on behalf of, or in service of a for-profit entity in
        the development, evaluation, operation, marketing, or sale of
        any product, service, or pipeline;
    (b) provision of simulation, analysis, or consulting services
        using the Software to a third party in exchange for
        compensation, whether monetary or in-kind;
    (c) inclusion of the Software, in whole or in part, in any
        product, library, or service that is offered for sale, lease,
        licensing fee, or paid subscription;
    (d) use in research that is funded by, or contractually owed to,
        a for-profit entity where the results are not intended for
        open publication;
    (e) use in any pipeline that produces output sold or licensed to
        a third party.

1.8 "Publication" means any public dissemination of work, including
    peer-reviewed articles, preprints, theses, dissertations,
    conference proceedings, technical reports, presentations, and
    publicly accessible datasets, code repositories, or web pages.

2. GRANT OF LICENSE

Subject to the conditions in Section 3 and the restrictions in
Section 4, the GLUED authors grant You a worldwide, royalty-free,
non-exclusive, non-transferable, perpetual license to:

(a) use, run, and execute the Software for Permitted Use;
(b) reproduce the Software in source or binary form, internally;
(c) prepare modified versions and derivative works of the Software
    for Permitted Use;
(d) integrate, link, embed, or otherwise combine the Software, in
    whole or in part, with other Permitted Projects, including
    Permitted Projects that You yourself develop;
(e) distribute the Software, including modified versions, in source
    form, to other recipients who themselves engage exclusively in
    Permitted Use.

3. CONDITIONS

3.1 Notices. You must include this license, in full and unchanged,
    with every copy of the Software (whole or partial) that You
    distribute, and You must preserve all copyright, attribution,
    and license notices contained in the Software.

3.2 Marking modifications. Any modification You distribute must be
    clearly marked as such, with the date of modification and the
    name of the modifier.

3.3 Citation. If You produce a Publication whose results were
    obtained, in whole or in part, using the Software, You must cite
    the Software in that Publication using the canonical citation
    provided on the project website. Citation of the upstream
    algorithmic references for the bias methods and collective
    variables You used is also encouraged.

3.4 Downstream commitments. Recipients of any distribution from You
    must accept this license before using the Software, and must
    commit to using and redistributing the Software only for
    Permitted Use. You are responsible for ensuring that recipients
    are aware of, and bound by, these terms before You distribute.

4. RESTRICTIONS

4.1 No Commercial Use. Commercial Use of the Software, in whole or
    in part, is not granted by this license. A separate written
    commercial license must be obtained from the GLUED authors
    before any Commercial Use.

4.2 No re-licensing. You may not sub-license, re-license, or
    distribute the Software under terms different from those of this
    license.

4.3 No removal of notices. You may not remove or obscure any
    copyright, attribution, citation, or license notice present in
    the Software or its documentation.

4.4 No endorsement. You may not use the names of the GLUED authors,
    their institutions, or contributors to endorse or promote
    derivative works, products, or services without prior written
    permission.

4.5 No commercial distribution channels. You may not list, publish,
    or upload the Software (in source or binary form) to any
    commercial or semi-commercial software distribution channel —
    including but not limited to PyPI, conda-forge, Docker Hub, npm,
    Homebrew, app stores, or paid software marketplaces — without
    prior written permission. Distribution is by source build only.

4.6 No patent claim. You may not initiate, maintain, or join in any
    patent claim against the GLUED authors or contributors arising
    from Your use, modification, or distribution of the Software.
    Initiating such a claim terminates Your rights under this
    license immediately.

5. CONTRIBUTIONS

Contributions submitted to the Software (for example, via pull
request, patch, or merge request) are licensed by the contributor to
the GLUED authors and to all subsequent users under the terms of
this license. By submitting a contribution, the contributor
represents that they have the right to do so and that the
contribution is their original work or has been properly attributed
to its sources.

6. NO WARRANTY

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND
NON-INFRINGEMENT. THE AUTHORS MAKE NO REPRESENTATION THAT THE
SOFTWARE WILL PRODUCE CORRECT, CONVERGED, OR SCIENTIFICALLY VALID
RESULTS, AND IT IS YOUR RESPONSIBILITY TO VALIDATE ALL ENHANCED-
SAMPLING OUTPUT BEFORE PUBLICATION.

7. LIMITATION OF LIABILITY

IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR
ANY CLAIM, DAMAGES, OR OTHER LIABILITY, WHETHER IN AN ACTION OF
CONTRACT, TORT, OR OTHERWISE, ARISING FROM, OUT OF, OR IN
CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

8. TERMINATION

8.1 This license terminates automatically upon any breach by You of
    its terms. Upon termination, You must cease all use of the
    Software and destroy all copies in Your possession, except for
    archival copies retained as required by law or research-data
    preservation policy.

8.2 Sections 3.3 (citation), 4 (restrictions), 5 (contributions),
    6 (no warranty), 7 (limitation of liability), and this Section
    8 survive termination of this license.

9. SEVERABILITY

If any provision of this license is held to be unenforceable or
invalid by a court of competent jurisdiction, that provision shall
be modified to the minimum extent necessary to make it enforceable,
and the remaining provisions shall continue in full force and
effect.

10. COMMERCIAL LICENSING

For Commercial Use, please contact the GLUED authors. The authors
are not currently offering commercial licenses, but will evaluate
requests on a case-by-case basis.

—— End of license ——

Citing GLUED

If you use GLUED in published work, please cite both the project and the original algorithm authors for whichever method you used:

@software{taterra_glued_2026, title = {GLUED: GPU-accelerated Library for Unified Exploration Dynamics}, author = {Taterra, Marvin}, year = {2026}, url = {https://github.com/MarvinTaterra/GluedMD}, note = {OpenMM plugin} }

Algorithm citations

Cite the paper for the bias / CV you used. The mapping below should cover most cases.

MetaDLaio & Parrinello, PNAS 99, 12562 (2002); Barducci et al., PRL 100, 020603 (2008).
OPESInvernizzi & Parrinello, J. Phys. Chem. Lett. 11, 2731 (2020).
eRMSDBottaro et al., Nucleic Acids Res. 42, 13306 (2014).
EDSWhite & Voth, JCTC 10, 3023 (2014).
MaxEntCesari et al., JCTC 12, 6143 (2016).
ABMDMarchi & Ballone, J. Chem. Phys. 110, 3697 (1999).
PuckeringCremer & Pople, J. Am. Chem. Soc. 97, 1354 (1975); Huang et al., JCTC 10, 1556 (2014).
Secondary structureKabsch & Sander, Biopolymers 22, 2577 (1983).
OpenMMEastman et al., PLOS Comput. Biol. 13, e1005659 (2017).

Disclaimer

GLUED is provided "as is" without warranty of any kind, express or implied. The authors are not liable for any claim, damages, or other liability arising from the use of this software. Always validate enhanced-sampling results against converged unbiased simulations or analytic benchmarks before publication.