Stefan Gugler
  • Bio
  • Publications
  • Recent Talk
    • Finding Molecular Minima and Transition States with Reverse Diffusion
  • Projects
  • Publications
    • Molecular relaxation by reverse diffusion with time step prediction
    • Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships between Features
    • qcscine/puffin: Release 1.2. 0
    • qcscine/puffin: Release 1.2.0
    • qcscine/readuct: Release 5.0.0
    • qcscine/utilities: Release 7.0. 0
    • qcscine/utilities: Release 7.0.0
    • SCINE READUCT 5.1. 0
    • SCINE READUCT 5.1.0
    • Ligand additivity relationships enable efficient exploration of transition metal chemical space
    • Quantum chemical roots of machine-learning molecular similarity descriptors
    • Reiher
    • Reiher
    • SCINE READUCT 4.1. 0
    • qcscine/readuct: Release 3.0. 0
    • Enumeration of de novo inorganic complexes for chemical discovery and machine learning
    • Gaussian process-based refinement of dispersion corrections
    • Strategies and software for machine learning accelerated discovery in transition metal chemistry
  • Blog
    • 🎉 Easily create your own simple yet highly customizable blog
    • 🧠 Sharpen your thinking with a second brain
    • 📈 Communicate your results effectively with the best data visualizations
    • 👩🏼‍🏫 Teach academic courses
    • ✅ Manage your projects
  • Projects
    • Pandas
    • PyTorch
    • scikit-learn
  • Experience
  • Teaching
    • Learn JavaScript
    • Learn Python

Reiher

Jan 1, 2022·
CHRISTOPH BRUNKEN
,
KATJA-SOPHIA CSIZI
,
Stephanie a Grimmel
,
Stefan Gugler
,
Jan-Grimo Sobez
,
MIGUEL STEINER
,
PAUL TÜRTSCHER
,
Jan Patrick Unsleber
,
ALAIN C VAUCHER
,
THOMAS WEYMUTH
· 0 min read
Cite
Type
Journal article
Publication
M. qcscine/readuct: Release
Last updated on Jan 1, 2022
← Quantum chemical roots of machine-learning molecular similarity descriptors Jan 1, 2022
Reiher Jan 1, 2022 →

© 2024 Stefan Gugler. This work is licensed under CC BY NC ND 4.0

Published with Hugo Blox Builder — the free, open source website builder that empowers creators.