Alternatives and similar repositories for Deep-Learning-Spectroscopy

Users that are interested in Deep-Learning-Spectroscopy are comparing it to the libraries listed below

• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆14Updated 6 years ago
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated 2 years ago
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 4 years ago
• Comp-science-engineering / Tutorials
  ☆16Updated 5 years ago
• croningp / reaction_learning
  ☆21Updated 6 years ago
• majhas / self-refining-dft
  ☆25Updated 4 months ago
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆37Updated 11 months ago
• aspuru-guzik-group / Beyond-Molecular-Structure-ML-for-OPV-Materials-Devices
  ☆14Updated last year
• scidatasoft / matgen
  The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …
  ☆11Updated 5 years ago
• Frank-LIU-520 / DeepMoleNet
  Deep learning for molecules quantum chemistry properties prediction
  ☆40Updated 4 years ago
• petervanya / DPDsim
  A dissipative particle dynamics (DPD) project.
  ☆11Updated 2 years ago
• orlandoacevedo / GAML
  Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.
  ☆15Updated 4 years ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• spozdn / pet
  Point Edge Transformer
  ☆32Updated 2 months ago
• MaterialEyes / Plot2Spec
  an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)
  ☆42Updated 3 years ago
• webbtheosim / poly-topoGNN-vae
  ☆18Updated last year
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆29Updated last year
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• icanswim / qchem
  An exploration of the state of the art in the application of data science to quantum chemistry.
  ☆13Updated 2 months ago
• raghurama123 / Comp_PhysChem_Basic
  A mini-course offered to Undergrad chemistry students
  ☆21Updated 3 years ago
• WardLT / applied-ai-for-materials
  Course materials for "Applied AI for Materials Science and Engineering"
  ☆68Updated 3 years ago
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆39Updated 2 months ago
• ciankingston / mordred_descriptors
  ☆11Updated 3 years ago
• danjodc / OpenMechanochem
  This module includes functions that can be used to simulate mechanochemical phenomena.
  ☆11Updated 4 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• cgrambow / AutomaticReactionDiscovery
  Using quantum chemical computation to find important reactions without requiring human intuition.
  ☆18Updated 7 years ago
• coleygroup / polymer-chemprop-data
  Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
  ☆21Updated 3 years ago
• lherron2 / thermomaps-ising
  ☆11Updated last year
• hlxin / tinnet
  Theory Infused Neural Network
  ☆11Updated 3 months ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago