Alexandre Duval @NeurIPS
@aduvalinho.bsky.social
Co-founder & CSO @Entalpic | AI for materials discovery | PhD in Graph ML, ex-Mila, ex-Amazon | #AIforClimateChange, #AI4Science
5/5) LeMaterial aims to facilitate research in material science: train ML models, identify novel materials & explore chemical spaces.
👉 Explore LeMaterial on Hugging Face: huggingface.co/LeMaterial
📢 It's just the begging, get involved: docs.google.com/forms/d/1BDG...
👉 Explore LeMaterial on Hugging Face: huggingface.co/LeMaterial
📢 It's just the begging, get involved: docs.google.com/forms/d/1BDG...
LeMaterial (LeMaterial)
AI4Science
huggingface.co
December 11, 2024 at 4:49 PM
5/5) LeMaterial aims to facilitate research in material science: train ML models, identify novel materials & explore chemical spaces.
👉 Explore LeMaterial on Hugging Face: huggingface.co/LeMaterial
📢 It's just the begging, get involved: docs.google.com/forms/d/1BDG...
👉 Explore LeMaterial on Hugging Face: huggingface.co/LeMaterial
📢 It's just the begging, get involved: docs.google.com/forms/d/1BDG...
3rd contribution:
👉 A well-benchmark hashing function creating material fingerprints --designed to deduplicate data and evaluate the "novelty" of newly generated materials.
It attempts to answer the question « what is a material », serving as basis for discussion.
👉 A well-benchmark hashing function creating material fingerprints --designed to deduplicate data and evaluate the "novelty" of newly generated materials.
It attempts to answer the question « what is a material », serving as basis for discussion.
December 11, 2024 at 4:49 PM
3rd contribution:
👉 A well-benchmark hashing function creating material fingerprints --designed to deduplicate data and evaluate the "novelty" of newly generated materials.
It attempts to answer the question « what is a material », serving as basis for discussion.
👉 A well-benchmark hashing function creating material fingerprints --designed to deduplicate data and evaluate the "novelty" of newly generated materials.
It attempts to answer the question « what is a material », serving as basis for discussion.
2nd contribution:
👉 Comprehensive tools to analyze the chemical space -- including phase diagrams, visualization tools or elemental composition treemap, empowering researchers to analyze and understand materials at scale.
👉 Comprehensive tools to analyze the chemical space -- including phase diagrams, visualization tools or elemental composition treemap, empowering researchers to analyze and understand materials at scale.
December 11, 2024 at 4:49 PM
2nd contribution:
👉 Comprehensive tools to analyze the chemical space -- including phase diagrams, visualization tools or elemental composition treemap, empowering researchers to analyze and understand materials at scale.
👉 Comprehensive tools to analyze the chemical space -- including phase diagrams, visualization tools or elemental composition treemap, empowering researchers to analyze and understand materials at scale.
1st contribution:
👉LeMat-Bulk: a 6.7M dataset of solid-state materials which cleans, standardizes and unifies Materials Project, Alexandria and OQMD.
huggingface.co/datasets/LeM...
👉LeMat-Bulk: a 6.7M dataset of solid-state materials which cleans, standardizes and unifies Materials Project, Alexandria and OQMD.
huggingface.co/datasets/LeM...
LeMaterial/LeMat-Bulk · Datasets at Hugging Face
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
huggingface.co
December 11, 2024 at 4:49 PM
1st contribution:
👉LeMat-Bulk: a 6.7M dataset of solid-state materials which cleans, standardizes and unifies Materials Project, Alexandria and OQMD.
huggingface.co/datasets/LeM...
👉LeMat-Bulk: a 6.7M dataset of solid-state materials which cleans, standardizes and unifies Materials Project, Alexandria and OQMD.
huggingface.co/datasets/LeM...
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