Sep 2026· Zenodo (CERN European Organization for Nuclear Research)
Abstract
Atomic Design Transformer: Scaffold-Conditioned 3D Molecule Generation with xTB-Verified Reinforcement Learning at https://arxiv.org/abs/2607.15918 source: https://github.com/tkotani/ADT (release v2.1) Dataset to reproduce the data in the paper.v2.1: the RLVR generator is rlvr_E240direct.pt (it replaces paper_rlvl.ckpt, which remains available in v2.0); frame_caches.tar.gz is corrected (every scaffold frame lays down exactly the named ring); geom_drugs_smiles.smi, the GEOM-Drugs SMILES list used for novelty and for the GEOM reference values, is added (derived from GEOM, Axelrod and Gómez-Bombarelli, Sci. Data 9, 185 (2022), CC0 1.0).To check the paper's numbers, see README_reproduce_benzene.md in the GitHub repository.
The results indicate that software engineering work practices are chosen opportunistically, adapted and configured to provide value under the constrains imposed by the startup context.
Nicolò Paternoster, Carmine Giardino, M. Unterkalmsteiner et al.· Information and Software Tec...· 394 citations· ⚡54
This state-of-practice investigation was performed using a literature review followed by a multiple-case study approach and presents how inconsistency between managerial strategies and execution can lead to failure by means of a behavioral framework.
Carmine Giardino, Xiaofeng Wang, P. Abrahamsson· International Conference on...· 175 citations· ⚡19
This study conducts a case survey study based on the secondary data of the major pivots happened in 49 software startups, and demonstrates that customer need pivot is the most common among all pivot types.
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It is found that roles of MVPs in startups were not fully aware by entrepreneurs, and entrepreneurs should consider a systematic approach to fully explore the value of MVP, as a multiple facet product (MFP).
Anh Nguyen-Duc, P. Abrahamsson· International Conference on...· 93 citations· ⚡9
It is found that what perceived as biggest challenges by software startups do vary across different life cycle stages, even though its significance decreases when the learning focuses of the startups move from problem to solution and their products mature.
Xiaofeng Wang, Henry Edison, Sohaib Shahid Bajwa et al.· International Conference on...· 62 citations· ⚡6
A comprehensive overview of how enhanced sampling methods are reshaping the field, with a particular focus on the data-driven construction of collective variables, is provided.
Kai Zhu, Enrico Trizio, Jintu Zhang et al.· Chemical Reviews· 58 citations
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