From 33e76e96313aec4413c9eca8650622b639bf86bb Mon Sep 17 00:00:00 2001 From: Rachel Kurchin Date: Mon, 28 Mar 2022 15:31:17 -0400 Subject: [PATCH] add packages using AtomsBase Signed-off-by: Rachel Kurchin --- README.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/README.md b/README.md index b3d4387..73b39e8 100644 --- a/README.md +++ b/README.md @@ -36,3 +36,15 @@ From the Julia REPL, type `]` to enter the Pkg REPL mode and run ``` pkg> add AtomsBase ``` + +## Packages Using AtomsBase +The following (not all yet-registered) packages currently make use of this interface (please feel free to send a PR to add to this list!): +* [ASEPotential](https://github.com/jrdegreeff/ASEPotential.jl) +* [AtomIO](https://github.com/mfherbst/AtomIO.jl): I/O for atomic structures, also wraps some ASE functionality +* [Atomistic](https://github.com/cesmix-mit/Atomistic.jl/tree/263ec97b5f380f1b2ba593bf8feaf36e7f7cff9a): integrated workflow for MD simulations, part of [CESMIX](https://computing.mit.edu/cesmix/) +* [BFPIS](https://github.com/GDufenshuoo/BFPIS.jl) +* [ChemistryFeaturization](https://github.com/Chemellia/ChemistryFeaturization.jl): Interface for featurization of atomic structures for input into machine learning models, part of [Chemellia](https://chemellia.org) +* [DFTK](https://github.com/JuliaMolSim/DFTK.jl): density functional theory simulations +* [InteratomicPotentials](https://github.com/cesmix-mit/InteratomicPotentials.jl): implementations of a variety of interatomic potentials, also part of [CESMIX](https://computing.mit.edu/cesmix/) +* [Molly](https://github.com/JuliaMolSim/Molly.jl): molecular dynamics simulations +* [Xtals](https://github.com/SimonEnsemble/Xtals.jl): I/O and structure representation for crystals