Owner

uibcdf

13 indexed repositories · View on GitHub

action-build-and-upload-conda-packages
GitHub Action: new conda packages are built and uploaded to Anaconda when a new released or pre-released version is declared.

Python · 24 stars
action-sphinx-docs-to-gh-pages
GitHub Action: The sphinx documentation in a repository is compiled and deployed to GitHub Pages through the gh-pages branch.

17 stars
molsysmt
Open source library to work with molecular systems

Python · 14 stars
elastnetmt
Open source library to work with elastic network models

Jupyter Notebook · 4 stars
pyunitwizard
Assistant to work with physical quantities, units, and python libraries such as Pint, openmm.unit or unyt.

Python · 3 stars
gh-run-receptor
A GitHub Actions evidence receptor for coding agents: compact reports without hiding failures or uncertainty

Python · 1 star
argdigest
The lightweight, extensible toolkit to audit, coerce and validate function arguments across scientific libraries.

Python · 0 stars
depdigest
Digesting dependencies into clear, actionable insight.

Python · 0 stars
molsysviewer
A Mol*-powered 3D viewer for molecular systems, integrated naturally within the MolSysSuite ecosystem.

Python · 0 stars
pharmacophoremt
A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of phar...

Jupyter Notebook · 0 stars
smonitor
Precision diagnostics for scientific Python ecosystems

Python · 0 stars
topomt
A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets,...

Jupyter Notebook · 0 stars
molsyssuite
MolSysSuite

Python · 0 stars

Beginner friendly Everything

Open All

Standardize coordinated Conda staging and promotion across coupled components Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsyssuite#27 · Opened Sep 19, 2026
Establish verified Zenodo archival before the next release Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 35/100

uibcdf/depdigest#11 · Opened Sep 19, 2026
Establish verified Zenodo archival before the next release Open

proposal

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/smonitor#14 · Opened Sep 19, 2026
Establish verified Zenodo archival before the next release Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 35/100

uibcdf/argdigest#11 · Opened Sep 19, 2026
DOI badge cites the MolSysMT archive Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/depdigest#10 · Opened Sep 19, 2026
DOI badge cites the MolSysMT archive Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/smonitor#13 · Opened Sep 19, 2026
Shared devguide guard semantics are not verifiable across components Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 50/100

uibcdf/molsyssuite#26 · Opened Sep 19, 2026
0.20.1, 0.22.0 and 0.23.0 never reached npm: the runtime build required a file the publisher never has Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/molsysviewer#89 · Opened Sep 19, 2026
Hosted CI has never passed: missing MolSysMT release, missing aiohttp, no _version.py in E2E Open

bug partial

Difficulty 4/5 3-5 days Newbie friendliness 48/100

uibcdf/molsysviewer#88 · Opened Sep 19, 2026
Integrate structured producer timeout evidence after 1.0 Open

blocked github profiles proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/gh-run-receptor#46 · Opened Sep 19, 2026
Develop structured workflow timeout evidence after gh-run-receptor 1.0 Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsyssuite#25 · Opened Sep 19, 2026
Standardize repository badges and MolSysSuite role identity Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsyssuite#23 · Opened Sep 17, 2026
Migrate legacy MolSysMT trees into the Ruff gate Open

ci proposal

Difficulty 4/5 Over a week Newbie friendliness 42/100

uibcdf/molsysmt#212 · Opened Sep 12, 2026
SMonitor: every diagnostic renders an empty message — CODES is keyed by class, not by code Open

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

uibcdf/pharmacophoremt#2 · Opened Sep 8, 2026
Use the release profile for action-internal Conda publication Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/pharmacophoremt#1 · Opened Sep 8, 2026
Use the release profile for action-internal Conda publication Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 58/100

uibcdf/elastnetmt#10 · Opened Sep 8, 2026
Use the release profile for action-internal Conda publication Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 55/100

uibcdf/topomt#17 · Opened Sep 8, 2026
Adopt gh-run-receptor for controlled dogfooding across MolSysSuite Open

partial proposal

Difficulty 5/5 Over a week Newbie friendliness 30/100

uibcdf/molsyssuite#19 · Opened Sep 8, 2026
Complete MolSysSuite policy adoption on Python 3.11–3.13 Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

uibcdf/topomt#16 · Opened Sep 8, 2026
Complete unit-configuration authority across MolSysSuite Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsyssuite#18 · Opened Sep 7, 2026
Declare mapped optional dependencies with one wrapper Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

uibcdf/depdigest#8 · Opened Sep 7, 2026
Instrument LazyRegistry with SMonitor Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

uibcdf/depdigest#7 · Opened Sep 7, 2026
Add an epoch-cached decorator fast path Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/depdigest#6 · Opened Sep 7, 2026
Automated type-stub generator Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/argdigest#9 · Opened Sep 7, 2026
Pytest diagnostics bridge and the MolSysSuite policy layer Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/smonitor#6 · Opened Sep 7, 2026
Catalog hint placeholders survive a rebuild that carries only args Open

blocked bug

Difficulty 4/5 3-5 days Newbie friendliness 35/100

uibcdf/smonitor#4 · Opened Sep 7, 2026
SMonitor: the catalog is wired but not connected — every diagnostic renders an empty message Open

Difficulty 4/5 3-5 days Newbie friendliness 55/100

uibcdf/topomt#15 · Opened Sep 6, 2026
Roll out MolSysSuite policy 1.0 across member repositories Open

enhancement in-progress

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsyssuite#6 · Opened Sep 6, 2026
Publish the 0.22.0 and 0.23.0 GitHub Releases once Phase 10 closes the dependency channels Open

Difficulty 5/5 Over a week Newbie friendliness 30/100

uibcdf/molsysviewer#82 · 1 comment · Opened Sep 5, 2026
Report upstream to pytest-xdist: an import in the receiver thread can end the session Open

Difficulty 2/5 1-3 hours Newbie friendliness 38/100

uibcdf/molsysviewer#80 · 3 comments · Opened Sep 4, 2026
219 quarantined digesters are in limbo: decide whether they are deleted Open

proposal

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/molsysviewer#78 · Opened Sep 4, 2026
info() has no mask, unlike get() and select(), so a scoped caller has to pre-resolve the intersection Open

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/molsysmt#206 · 1 comment · Opened Sep 4, 2026
Evaluate LTO and Rattler Build for native Conda latency Open

build ci in-progress performance proposal

Difficulty 4/5 3-5 days Newbie friendliness 25/100

uibcdf/molsysmt#205 · Opened Sep 4, 2026
A clean conda install of 0.22.0 cannot convert a PDB ID: 'mmcif' is undeclared and not on conda-forge Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsysmt#200 · 1 comment · Opened Sep 2, 2026
Regenerate the exported views once MolSysViewer 0.21.0 ships: the transparent-background fix lives in the HTML, not the runtime Open

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

uibcdf/molsysmt#199 · Opened Sep 2, 2026
Devguide closure accepts guards unrelated to the reported defect Open

blocked bug ci docs

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/molsysmt#197 · Opened Sep 2, 2026
Conda cannot resolve MolSysMT on supported Python 3.13 because MolSysViewer has no compatible build Open

bug build deps in-progress

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/molsysmt#195 · Opened Sep 1, 2026
The MolSysSuite positioning is absent from every public surface Open

api docs documentation

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/molsysmt#192 · Opened Aug 19, 2026
paper/main.tex is an unfilled template and the manuscript argument is unrecorded Open

docs proposal

Difficulty 4/5 3-5 days Newbie friendliness 55/100

uibcdf/molsysmt#191 · 1 comment · Opened Aug 19, 2026
The evidence matrix cannot show the surfaces the manuscript will lead with Open

build proposal tests

Difficulty 4/5 3-5 days Newbie friendliness 55/100

uibcdf/molsysmt#190 · Opened Aug 19, 2026
supported.forms() and info() return only styled tables, with no programmatic result Open

api basic proposal

Difficulty 3/5 1-2 days Newbie friendliness 68/100

uibcdf/molsysmt#188 · 1 comment · Opened Aug 19, 2026
The README presents experimental surfaces as headline capabilities Open

build docs documentation

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

uibcdf/molsysmt#186 · Opened Aug 19, 2026
No test workflow runs on a push to main and the CI badge names a missing workflow Open

bug ci

Difficulty 4/5 3-5 days Newbie friendliness 48/100

uibcdf/molsysmt#185 · Opened Aug 19, 2026
Execute every declared conversion edge in the test suite, not only audit it statically Open

convert enhancement form proposal tests

Difficulty 4/5 3-5 days Newbie friendliness 55/100

uibcdf/molsysmt#181 · Opened Aug 19, 2026
Integrate PROPKA for environment-dependent pKa instead of reimplementing it Open

build deps enhancement proposal

Difficulty 4/5 3-5 days Newbie friendliness 48/100

uibcdf/molsysmt#177 · Opened Aug 19, 2026
Add compact='molecule' to the wrapping functions Open

api pbc proposal

Difficulty 4/5 3-5 days Newbie friendliness 55/100

uibcdf/molsysmt#173 · Opened Aug 19, 2026
SMonitor 0.13.0: catalog class shape, and the conda recipe has no version floor Open

documentation

Difficulty 2/5 1-3 hours Newbie friendliness 76/100

uibcdf/depdigest#2 · Opened Aug 17, 2026
Advanced representations for pockets, voids, channels and interfaces Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

uibcdf/molsysviewer#59 · Opened Aug 14, 2026
View a scene as pixels in a terminal Open

proposal

Difficulty 4/5 3-5 days Newbie friendliness 45/100

uibcdf/molsysviewer#58 · Opened Aug 14, 2026
Generated typing contract for MolSysView mixins Open

proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

uibcdf/molsysviewer#57 · Opened Aug 14, 2026

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