Software Solutions

Advanced Data Analysis & Instrument Control Platforms for Scientific Research

Our Platforms

Computational Tools for
Scientific Research

Scandium provides computational platforms that integrate construction, prediction, and analysis into unified workflows — enabling systematic exploration and reproducible research without reliance on fragmented toolchains.

Structure Building

Assemble MOF structures from predefined components with precise atomic control

Structural Manipulation

Geometric and topological modification of frameworks within a unified workflow

Predictive Modeling

Evaluate framework behavior and properties through computational prediction

Structure Solution

Resolve structures from experimental or simulated data with consistent handling

High-Throughput Screening

Systematic exploration of MOF design spaces for gas adsorption and stability

Reproducible Workflows

Consolidated environment reducing complexity and ensuring reproducibility

Computational PlatformComing Soon

MOFstudio

MOFstudio is a computational platform for the construction, prediction, and structure solution of metal–organic frameworks (MOFs) within a unified and reproducible workflow. The software integrates framework assembly, structural manipulation, and property evaluation into a single environment, enabling systematic exploration of MOF design spaces without reliance on fragmented toolchains.

The platform supports multiple operational modes that address distinct stages of MOF research, including structure building from predefined components, geometric and topological modification, predictive modeling of framework behavior, and structure solution from experimental or simulated data. Each mode is implemented with consistent input–output handling, allowing seamless transition between construction, analysis, and validation tasks.

MOFstudio is designed to accommodate both idealized and experimentally derived systems, providing precise control over atomic configurations, symmetry constraints, and periodic boundary conditions. The software enables high-throughput screening as well as detailed single-structure investigations, supporting applications in gas adsorption, structural stability assessment, and framework optimization.

By consolidating key functionalities into a single framework, MOFstudio reduces workflow complexity, improves reproducibility, and provides a controlled environment for systematic MOF design and analysis.