871 packages matching “computational-chemistry”
@enlance/openchem
v1.0.3 · 7 months ago
Natural language conversational CLI for computational chemistry
No known vulnerabilities
@mazzz/plugin-elizaos-compchembridge
v2.0.3 · 1 year ago
Advanced computational chemistry plugin for ElizaOS with integrated Python analysis capabilities
No known vulnerabilities
@citation/csl-style-journal-of-computational-chemistry
v1.0.0 · 2 years ago
CSL style for Journal of Computational Chemistry
No known vulnerabilities
dft-autopilot-mcp
v0.1.0 · 2 months ago
DFT AutoPilot — an MCP server that automates DFT computational chemistry (Quantum ESPRESSO / VASP / Gaussian) on your own HPC (SCNet, Slurm, or local).
No known vulnerabilities
mathpix-markdown-it
v3.0.1 · 2 months ago
Mathpix-markdown-it is an open source implementation of the mathpix-markdown spec written in Typescript. It relies on the following open source libraries: MathJax v3 (to render math with SVGs), markdown-it (for standard Markdown parsing)
No known vulnerabilities
@atjsh/llmlingua-2
v3.0.0 · 1 month ago
JavaScript/TypeScript Implementation of LLMLingua-2
No known vulnerabilities
nlapack
v2.0.9 · 3 years ago
C++ bindings for all single- and double-precision CLAPACK (Linear Algebra Package) routines.
No known vulnerabilities
@openmrs/esm-patient-tests-app
v12.3.4 · 2 months ago
Patient test order and results microfrontend for the OpenMRS SPA
No known vulnerabilities
robust-predicates
v3.0.3 · 6 months ago
Fast robust predicates for computational geometry
No known vulnerabilities
@chemistry/elements
v3.6.5 · 1 day ago
Chemical elements information
No known vulnerabilities
@chemistry/common
v3.6.5 · 1 day ago
Chemical data formats
No known vulnerabilities
nearley
v2.20.1 · 5 years ago
Simple, fast, powerful parser toolkit for JavaScript.
No known vulnerabilities
@chemistry/space-groups
v3.6.5 · 1 day ago
List of space groups with symmetry codes
No known vulnerabilities
export-xlsx
v0.1.4 · 4 years ago
export excel
No known vulnerabilities
@chemistry/math
v3.6.5 · 1 day ago
Math support for @chemistry project
No known vulnerabilities
vue-chemistry
v0.2.2 · 5 years ago
Reactive JavaScript utilities
No known vulnerabilities
@chemistry/molpad
v3.2.7 · 1 day ago
Molecule Editor
No known vulnerabilities
@chemistry/molecule
v3.6.5 · 1 day ago
Molecule
No known vulnerabilities
@chemistry/crystalview
v3.1.7 · 1 day ago
Crystal Structure Visualization Library
No known vulnerabilities
@chemistry/formula
v3.6.5 · 1 day ago
Chemical formula parser
No known vulnerabilities