プレゼンテーション SMILES-X: A Tailored and Effective Molecular Property Inference and Generation Pipeline
LAMBARD Guillaume (author) (この著者で検索)
ORCID https://orcid.org/0000-0003-0275-4079
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group
SAMURAI NIMS Researchers Directory SAMURAI
ORCID SAMURAI
コレクション

引用
LAMBARD Guillaume. SMILES-X: A Tailored and Effective Molecular Property Inference and Generation Pipeline. https://doi.org/10.48505/nims.6260

説明:

(abstract)

SMILES-X: A Tailored and Effective Molecular Property Inference and Generation Pipeline

権利情報:

  • http://opensource.org/licenses/MIT

    Copyright 2026 LAMBARD Guillaume

    Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the “Software”), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

    The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

    THE SOFTWARE IS PROVIDED “AS IS”, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

キーワード: small language model, physicochemical properties prediction, molecular generation, small data regime

会議: CENTER FOR ENERGY SYSTEMS DESIGN - WORKSHOP (2026-01-28)

研究助成金:

原稿種別: 論文以外のデータ

MDR DOI: https://doi.org/10.48505/nims.6260

公開URL:

関連資料:

その他の識別子:

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更新時刻: 2026-04-15 11:01:49 +0900

MDRでの公開時刻: 2026-04-22 12:24:40 +0900

ファイル名 サイズ
ファイル名 GLambard_SMILESX_20260128.pdf (サムネイル)
application/pdf
サイズ 1.65MB 詳細