A Python module to create host-guest complexes for determining interaction energies.
-
Updated
Mar 24, 2025 - Python
#
supramolecular-chemistry
Here are 9 public repositories matching this topic...
Web-based 3D viewer and analyzer of noncovalent interactions: σ/π-holes, tetrel, triel, hydride bonds and π-stacking
pi-hole crystallography molecular-visualization supramolecular-chemistry pi-stacking sigma-hole halogen-bonding chalcogen-bonding pnictogen-bonding tetrel-bonding triel-bonding
-
Updated
Aug 22, 2026 - HTML
Open, reproducible blueprint for error-bounded molecular manufacturing with RS-coded sockets, verify-before-commit nanostructure tiles, and proof-carrying assembly.
reproducible-research synthetic-biology open-science reed-solomon materials-science computational-design nanostructures self-assembly nanofabrication nanotechnology error-correction dna-origami research-software dna-nanotechnology molecular-robotics supramolecular-chemistry molecular-engineering molecular-manufacturing nanoscale-metrology proof-carrying-assembly
-
Updated
Sep 3, 2026 - Python
CHRONOFORGE v2.0: a falsifiable architecture for universal nanofabrication using EVE-Lattice, transactional chemistry, local proof and error contraction.
research artificial-intelligence computational-chemistry materials-science metamaterials self-assembly programmable-matter nanofabrication nanotechnology digital-twin error-correction dna-origami reaction-engineering autonomous-laboratory molecular-robotics supramolecular-chemistry molecular-manufacturing atomically-precise-manufacturing nanofactory chemical-proofreading
-
Updated
Sep 1, 2026 - Python
A Python package for building metal-organic cages from nodes and linkers, identifying and functionalising available linker sites, and enumerating symmetry-unique cage and MOF isomers.
supramolecular-chemistry mofstructure metal-organic-cage cage-isomer-enumeration mof-isomerism cage-topology isomer-enumeration
-
Updated
Jul 23, 2026 - Python
A command-line workflow for NMR titration binding analysis
-
Updated
Aug 3, 2026 - Python
Alex's personal website for CV, blogging, coding, and hobbies
-
Updated
Jul 14, 2025 - Shell
Machine learning (BGMM/GP) code for the Catassembly Triad framework in JACS. Validates catalyst efficacy prediction via triad descriptors (attachability, controllability, detachability).
machine-learning chemistry computational-chemistry bayesian-inference gaussian-mixture gaussian-process jacs catalyst-design supramolecular-chemistry enantioselectivity
-
Updated
Dec 27, 2025 - Python
Research thesis on fault-tolerant universal nanofabrication: matter ISA, chemical syndrome locking, error-correcting assembly, active-frontier manufacturing, experiments, and roadmap.
fault-tolerance computational-chemistry materials-science self-assembly nanofabrication nanotechnology surface-science error-correction inverse-design molecular-machines dna-nanotechnology mechanochemistry autonomous-laboratory supramolecular-chemistry atom-manipulation nanomanufacturing molecular-manufacturing atomic-precision-manufacturing molecular-assembly matter-compiler
-
Updated
Aug 31, 2026
Add this topic to your repo
To associate your repository with the supramolecular-chemistry topic, visit your repo's landing page and select "manage topics."