{"id":20795247,"url":"https://github.com/theochem/nice.jl","last_synced_at":"2025-06-24T22:37:12.352Z","repository":{"id":221191744,"uuid":"563069686","full_name":"theochem/NICE.jl","owner":"theochem","description":null,"archived":false,"fork":false,"pushed_at":"2025-02-20T16:49:47.000Z","size":132,"stargazers_count":2,"open_issues_count":3,"forks_count":2,"subscribers_count":6,"default_branch":"main","last_synced_at":"2025-03-12T01:33:40.466Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://theochem.github.io/NICE.jl/","language":"Julia","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/theochem.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2022-11-07T20:59:02.000Z","updated_at":"2025-02-20T16:40:44.000Z","dependencies_parsed_at":"2024-11-17T16:21:51.010Z","dependency_job_id":"41f1ea66-218e-4cd3-ac59-9e80ddc07204","html_url":"https://github.com/theochem/NICE.jl","commit_stats":null,"previous_names":["theochem/nice.jl"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/theochem/NICE.jl","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/theochem%2FNICE.jl","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/theochem%2FNICE.jl/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/theochem%2FNICE.jl/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/theochem%2FNICE.jl/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/theochem","download_url":"https://codeload.github.com/theochem/NICE.jl/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/theochem%2FNICE.jl/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":261769205,"owners_count":23207151,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2024-11-17T16:20:35.703Z","updated_at":"2025-06-24T22:37:12.329Z","avatar_url":"https://github.com/theochem.png","language":"Julia","funding_links":[],"categories":[],"sub_categories":[],"readme":"# NICE\n\n[![Stable](https://img.shields.io/badge/docs-stable-blue.svg)](https://quantumelephant.github.io/NICE.jl/stable/)\n[![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://quantumelephant.github.io/NICE.jl/dev/)\n[![Build Status](https://github.com/quantumelephant/NICE.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/quantumelephant/NICE.jl/actions/workflows/CI.yml?query=branch%3Amain)\n[![Coverage](https://codecov.io/gh/quantumelephant/NICE.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/quantumelephant/NICE.jl)\n# NICE\nNICE is a package for determining solving simultaneous equilibria problems with networks of complex chemical reactions. The name comes because the main approach is [**N**et-event kinetic Monte Carlo](https://www.sciencedirect.com/science/article/pii/S0098135404002789), applied to fill in an **ICE** ([Initial, Charge, Equilibrium](https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Equilibria/Le_Chateliers_Principle/Ice_Tables)) table.\n\nThe scope of `NICE` also supports direct solution of the nonlinear equations associated with simultaneous equilibria and (normal) kinetic Monte Carlo. While some innovations are present in the net-event kinetic Monte Carlo code, the intention of NICE is to support studies of relatively complicated but small systems: sophisticated parallelization techniques that would be needed to treat very large-scale problems are not included.\n\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftheochem%2Fnice.jl","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Ftheochem%2Fnice.jl","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftheochem%2Fnice.jl/lists"}