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

https://mdr.nims.go.jp/datasets/1d7646e7-badd-4764-88b9-aa8f623de6f0

## File

- [GLambard_SMILESX_20260128.pdf](https://mdr.nims.go.jp/filesets/3829f9a4-e727-4527-8cc0-736f15212789/download) ([Detail](https://mdr.nims.go.jp/filesets/3829f9a4-e727-4527-8cc0-736f15212789.md))

## Id

1d7646e7-badd-4764-88b9-aa8f623de6f0

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-04-13T08:24:21.796941Z

## Updated at

2026-04-15T02:01:49.301317Z

## Published at

2026-04-22T03:24:40.057747Z

## Doi

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

## First published url



## Date published



## Recorded date published



## Resource type

conference_presentation

## Manuscript type

na

## Collection



## Title

- title: 'SMILES-X: A Tailored and Effective Molecular Property Inference and Generation
    Pipeline'
  title_type: original
  lang: en

## Description

- description: 'SMILES-X: A Tailored and Effective Molecular Property Inference and
    Generation Pipeline'
  description_type: abstract
  lang: eng

## Creator

- name: LAMBARD Guillaume
  role: author
  orcid: https://orcid.org/0000-0003-0275-4079
  organization: National Institute for Materials Science
  department: Center for Basic Research on Materials/Data-driven Materials Research
    Field/Data-driven Materials Design Group

## Contact agent



## Publisher



## Managing organization



## Keyword

- subject: small language model
  schema: not_defined
- subject: physicochemical properties prediction
  schema: not_defined
- subject: small data regime
  schema: not_defined
- subject: molecular generation
  schema: not_defined

## Rights

- description: "Copyright 2026 LAMBARD Guillaume\r\n\r\nPermission 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:\r\n\r\nThe
    above copyright notice and this permission notice shall be included in all copies
    or substantial portions of the Software.\r\n\r\nTHE 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.\r\n"
  identifier: http://opensource.org/licenses/MIT

## Other identifier(s)



## Data origin



## Embargo



## Journal



## Conference

name: CENTER FOR ENERGY SYSTEMS DESIGN - WORKSHOP
start_date: 2026-01-28
end_date: 2026-01-28

## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 3829f9a4-e727-4527-8cc0-736f15212789
  filename: GLambard_SMILESX_20260128.pdf
  content_type: application/pdf
  size: 1729680
  md5: cdae7c1c44989a98d149e5b82256b334

## Thumbnail

fileset_id: 3829f9a4-e727-4527-8cc0-736f15212789
filename: GLambard_SMILESX_20260128.pdf