Scientific Software

Open scientific software by Andrés Monreal Hernández.

The software portfolio brings together Ostrin, claimtestR, AdsorpQC, QMCert, DockCert and MDCheck. Each project keeps its own release history, documentation and citation path.

Ostrin

Experimental scientific-computing language with a public Rust implementation.

Status: experimental
Release: v0.1.0 · Development: main

claimtestR

R package for executable, inspectable statistical claims.

Status: public; archive and current release differ
Release: v0.1.2 · Archive: v0.1.1

AdsorpQC

Public Python package for quality control of adsorption workflows.

Status: public package; metadata and claims require review
Release: v1.0.0

QMCert

Public Python package for quality control and reproducibility assessment.

Status: public package; metadata and claims require review
Release: v1.0.0

DockCert

Public Python package for docking validation and reproducibility assessment.

Status: public package; metadata and claims require review
Release: v1.0.0

MDCheck

Public Python package for molecular-dynamics convergence and reproducibility checks.

Status: public package; release and citation versions differ
Release: v1.0.0

Public software list

Software Public release Development Archive Source
Ostrin v0.1.0 main — GitHub
claimtestR v0.1.2 — v0.1.1 GitHub
AdsorpQC v1.0.0 — — GitHub · PyPI
QMCert v1.0.0 — — GitHub · PyPI
DockCert v1.0.0 — — GitHub · PyPI
MDCheck v1.0.0 — v1.1.0 GitHub · PyPI

What each project includes

Software pages connect the project status, version, language, repository, documentation, license, tests, release history and citation information available for that project.

Each project page points to the public repository, release history and citation information available for that project.

The portfolio will grow with new releases, documentation and citations as the projects develop.