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    2024

  1. MHNN: Molecular Hypergraph Neural Networks
    Schwaller. Associated publication: 10.1063/5.0193557.
    Software
  2. philpreikschas/operando-ir: v0.1.1
    Pérez-Ramírez. Associated publication: 10.1038/s41467-024-47447-6.
    Dataset
  3. Clipboard-to-SMILES-Converter
    Laino, Schwaller. Associated publication: 10.1002/ail2.91.
    Software
  4. FG-dataset
    López. Associated publication: 10.1038/s43588-023-00437-y.
    Dataset
  5. HSQC0
    Luterbacher. Associated publication: 10.1002/ange.202404442.
    Software
  6. amuse
    López. Associated publication: 10.1039/d3dd00163f.
    Software
  7. operando-ir
    Pérez-Ramírez. Associated publication: 10.1038/s41467-024-47447-6.
    Software
  8. Environmental footprint of Internet consumption
    Guillén-Gosálbez. Associated publication: 10.1038/s41467-024-47621-w.
    Dataset
  9. OpenNMT-py
    Laino. Associated publication: 10.1038/s42256-021-00319-w.
    Software
  10. OpenNMT-py
    Laino. Associated publication: 10.26434/chemrxiv.13273310.v1.
    Software
  11. 2023

  12. ART Polymerization Networks
    Reiher. Associated publication: 10.1021/acs.jcim.3c00102.
    Dataset
  13. M-ZnZrOx
    López. Associated publication: 10.1038/s41467-024-47447-6.
    Dataset
  14. NC_proximity_effects_TEM
    Pérez-Ramírez, López. Associated publication: 10.1002/adma.202307991.
    Dataset
  15. Pd_cross_coupling_droplet_XAS
    López. Associated publication: 10.1002/anie.202401056.
    Dataset
  16. Pt_acetylene_hydrochlorination
    López. Associated publication: 10.1038/s41467-023-41344-0.
    Dataset
  17. reply-physics-reactions
    Corminboeuf. Associated publication: 10.1088/2632-2153/acee43.
    Software
  18. sac_ml
    López. Associated publication: 10.1039/d3ta05898k.
    Dataset
  19. Dataset for Reaction-Induced Formation of Stable Mononuclear Cu(I)Cl Species on Carbon for Low-Footprint Vinyl Chloride Production
    Jeschke, Guillén-Gosálbez, Pérez-Ramírez, Nachtegaal/Safonova, López. Associated publication: 10.1002/adma.202211464.
    Dataset
  20. Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO2
    Jeschke, Pérez-Ramírez, López, Stark. Associated publication: 10.1002/aenm.202204122.
    Dataset
  21. Energy crisis in Europe enhances the sustainability of green chemicals
    Guillén-Gosálbez, Pérez-Ramírez. Associated publication: 10.1039/D3GC01053H.
    Dataset
  22. Environmental Sustainability Assessment of Hydrogen from Waste Polymers
    Guillén-Gosálbez, Pérez-Ramírez. Associated publication: 10.1021/acssuschemeng.2c05729.
    Dataset
  23. GAME-Net
    López. Associated publication: 10.1038/s43588-023-00437-y.
    Dataset
  24. Low-Valent Manganese Atoms Stabilized on Ceria for Nitrous Oxide Synthesis
    Jeschke, Pérez-Ramírez, López. Associated publication: 10.1002/adma.202211260.
    Dataset
  25. Planetary Boundaries Analysis of Low-Carbon Ammonia Production Routes
    Guillén-Gosálbez, Pérez-Ramírez. Associated publication: 10.1021/acssuschemeng.1c01915.
    Dataset
  26. Trade-offs between Sustainable Development Goals in carbon capture and utilisation
    Guillén-Gosálbez, Pérez-Ramírez. Associated publication: 10.1039/D2EE01153K.
    Dataset
  27. equidock_public
    Krause. Associated publication: 10.48550/arXiv.2111.07786.
    Software
  28. lcmd-epfl/MLKRR: First release!
    Corminboeuf. Associated publication: 10.1088/2632-2153/ac8e4f.
    Dataset
  29. lcmd-epfl/molassembler_script: Zenodo release updater
    Corminboeuf, Reiher. Associated publication: 10.1039/D2SC01714H.
    Dataset
  30. 2022

  31. Cu-CO3
    Pérez-Ramírez, López. Associated publication: 10.1021/jacs.3c08079.
    Dataset
  32. FG-dataset (DFT)
    López. Associated publication: 10.1038/s43588-023-00437-y.
    Dataset
  33. Mn_SAC_N2O
    Jeschke, Pérez-Ramírez, López. Associated publication: 10.1002/adma.202211260.
    Dataset
  34. Catalytic Synergies in Bimetallic Ru-Pt Single-Atom Catalysts via Speciation Control
    Pérez-Ramírez, Nachtegaal/Safonova, López. Associated publication: 10.1002/adfm.202206513.
    Dataset
  35. CuOCl
    Pérez-Ramírez, López. Associated publication: 10.1016/j.xcrp.2023.101294.
    Dataset
  36. Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂
    Jeschke, Pérez-Ramírez, López, Stark. Associated publication: 10.1002/aenm.202204122.
    Dataset
  37. Pd_hydrodebromination
    Pérez-Ramírez, Nachtegaal/Safonova, López. Associated publication: 10.1021/acscatal.2c06394.
    Dataset
  38. Synergistic_bimetallic_Pt-Ru_NC
    Pérez-Ramírez, Nachtegaal/Safonova, López. Associated publication: 10.1002/adfm.202206513.
    Dataset
  39. lcmd-epfl/NaviCatGA: v1.0.0
    Corminboeuf.
    Dataset
  40. 2021

  41. Bene94/Plastic-supply-chain-model-including-matlab-code-: V1.0
    Bardow, Guillén-Gosálbez. Associated publication: 10.1038/s41893-022-01054-9.
    Dataset
  42. CH2Br2_Hydrodebromination
    Pérez-Ramírez, López. Associated publication: 10.1021/acscatal.1c04345.
    Dataset
  43. CH2Br2_Hydrodebromination_Additional
    Pérez-Ramírez, López. Associated publication: 10.1021/acscatal.1c04345.
    Dataset