force-field

Open-source projects categorized as force-field
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Language: + Fortran + Python
Topics: forcefield quantum-chemistry physical-properties Validation computational-chemistry
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force-field Open-Source Projects

  • xtb

    Semiempirical Extended Tight-Binding Program Package

  • openff-evaluator

    A physical property evaluation toolkit from the Open Forcefield Consortium.

  • InfluxDB

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NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

force-field related posts

  • Coordination chemistry simulations

    1 project | /r/comp_chem | 18 May 2023

  • CompChem Project Ideas for an Undergrad?

    1 project | /r/comp_chem | 24 Mar 2023

  • Book suggestion for learning about forcefields used in molecular dynamics (specially those used in CADD)

    1 project | /r/comp_chem | 24 Aug 2021

  • OpenFF – Automated estimation of physical properties

    1 project | news.ycombinator.com | 1 Jan 2021

Index

Project Stars
1 xtb 534
2 openff-evaluator 50

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