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Title: GitHub - bracerino/uMLIP-Interactive: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE) · GitHub

Open Graph Title: GitHub - bracerino/uMLIP-Interactive: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

X Title: GitHub - bracerino/uMLIP-Interactive: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

Description: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE) - GitHub - bracerino/uMLIP-Interactive: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

Open Graph Description: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE) - bracerino/uMLIP-Interactive

X Description: GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE) - bracerino/uMLIP-Interactive

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lebedmi2@cvut.cz

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run-mace.shhttps://github.com/bracerino/uMLIP-Interactive/blob/main/run-mace.sh
run-mace.shhttps://github.com/bracerino/uMLIP-Interactive/blob/main/run-mace.sh
READMEhttps://github.com/bracerino/uMLIP-Interactive
MIT licensehttps://github.com/bracerino/uMLIP-Interactive
https://github.com/bracerino/uMLIP-Interactive#umlip-interactive-gui-for-running-simulations-with-universal-machine-learning-interatomic-potentials-umlip---mace-chgnet-nequix-sevennet-orb-v3-mattersim-upet-grace
https://umlip-interactive.streamlit.apphttps://umlip-interactive.streamlit.app
https://github.com/bracerino/uMLIP-Interactive#references
Lebeda, M., Drahokoupil, J., Mazáčová, V., & Vlčák, P. (2026). Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials. Journal of Materials Research and Technology, 41, 6766–6774.https://www.sciencedirect.com/science/article/pii/S2238785426004540
Atomic Simulation Environment (ASE)https://iopscience.iop.org/article/10.1088/1361-648X/aa680e/meta?casa_token=ylmp7uEZ-BYAAAAA:SRe2v_QrxXhw5O0ZrwNP5yyNQ8HbaG5vcbvBK98BQ6aZIs-qJ6C_1gjYBQ552Y68eJhnK0vPOheT8-R2gyGlaxCsnhGs
Implementation strategies in phonopy and phono3pyhttps://iopscience.iop.org/article/10.1088/1361-648X/acd831/meta
https://github.com/bracerino/uMLIP-Interactive#tutorials
YouTubehttps://youtu.be/xh98fQqKXaI?si=m0Hysd9dvZis0any
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https://github.com/bracerino/uMLIP-Interactive#currently-supported-umlip
MACEhttps://github.com/ACEsuit/mace
CHGNethttps://github.com/CederGroupHub/chgnet
SevenNethttps://github.com/MDIL-SNU/SevenNet
Orb-v3https://github.com/orbital-materials/orb-models
MatterSimhttps://github.com/microsoft/mattersim
Nequixhttps://github.com/atomicarchitects/nequix
UPEThttps://github.com/lab-cosmo/pet-mad
GRACEhttps://github.com/ICAMS/grace-tensorpotential
https://github.com/bracerino/uMLIP-Interactive/blob/main/images/Mace-01.png
https://github.com/bracerino/uMLIP-Interactive
https://github.com/bracerino/uMLIP-Interactive/blob/main/images/Mace-02.png
https://github.com/bracerino/uMLIP-Interactive#-1
https://github.com/bracerino/uMLIP-Interactive/blob/main/images/Mace-03.png
https://github.com/bracerino/uMLIP-Interactive#-2
https://github.com/bracerino/uMLIP-Interactive#compile-the-app
https://www.youtube.com/watch?v=zZf4YH4WiZohttps://www.youtube.com/watch?v=zZf4YH4WiZo
https://github.com/bracerino/uMLIP-Interactive#to-run-simulations-with-mace-chgnet-sevennet-orb-v3
https://github.com/bracerino/mace-md-gui.githttps://github.com/bracerino/mace-md-gui.git
https://github.com/bracerino/uMLIP-Interactive#to-run-simulations-with-mattersim--upet--grace-please-pay-separated-attention-to-grace
https://github.com/bracerino/mace-md-gui.githttps://github.com/bracerino/mace-md-gui.git
https://github.com/bracerino/uMLIP-Interactive#workflow
https://github.com/bracerino/uMLIP-Interactive/blob/main/images/Mace-3.png
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implant.fs.cvut.cz/mace-interatomic-potential/https://implant.fs.cvut.cz/mace-interatomic-potential/
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point-defects https://github.com/topics/point-defects
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v0.9.6.1 Latest Jun 19, 2026 https://github.com/bracerino/uMLIP-Interactive/releases/tag/v0.9.6.1
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