Alternatives and similar repositories for synthetic-spectra-benchmark

Users that are interested in synthetic-spectra-benchmark are comparing it to the libraries listed below

• hserf / DOSY_Net
  DOSY processing
  ☆10Updated 3 years ago
• X1nyuLu / PACE
  Patch-based Convlutional Encoder for vibrational spectrum recognition
  ☆12Updated 10 months ago
• EmilSkaaning / DeepStruc
  DeepStruc is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.
  ☆25Updated last year
• pycroscopy / AICrystallographer
  Here, we will upload our deep/machine learning models and 'workflows' (such as AtomNet, DefectNet, SymmetryNet, etc) that aid in automate…
  ☆36Updated 4 years ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated last week
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 3 years ago
• rxn4chemistry / rxn-ir-to-structure
  Predicting molecular structure from Infrared (IR) Spectra
  ☆23Updated last year
• materials-data-facility / awesome-bayesian-optimization
  ☆41Updated last year
• MaterialEyes / Plot2Spec
  an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)
  ☆41Updated 2 years ago
• ac-rad / digital-pipette
  ☆10Updated last year
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆14Updated 6 years ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆20Updated 2 months ago
• ziatdinovmax / Notebooks-for-papers
  Jupyter notebooks describing data analysis procedures for my published/submitted papers
  ☆14Updated 4 years ago
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆24Updated last month
• csms-ethz / CombiFF
  CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich
  ☆17Updated 2 years ago
• lamalab-org / chempile
  ChemPile project
  ☆16Updated last week
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆36Updated 4 years ago
• CooperComputationalCaucus / kuka_optimizer
  Bayesian optimization used for kuka workflow
  ☆19Updated 2 years ago
• JorenBE / GPT-Challenge
  ☆13Updated 9 months ago
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆63Updated 2 years ago
• IBM / topography-searcher
  This Python package is designed for mapping the solution space of machine learning models. An understanding of the organisation of the so…
  ☆16Updated 3 months ago
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated 3 weeks ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆33Updated 2 years ago
• orlandoacevedo / GAML
  Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.
  ☆15Updated 4 years ago
• figotj / Polymer_Tg_
  ☆11Updated 3 years ago
• ghezalahmad / LLMs-for-the-Design-of-Sustainable-Concretes
  ☆15Updated last year
• open-reaction-database / ord-interface
  Search/browse interface and APIs for the Open Reaction Database
  ☆22Updated last month
• aspuru-guzik-group / Computer-vision-for-the-chemistry-lab
  Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving mate…
  ☆25Updated 3 years ago
• StefanoSanvitoGroup / BERT-PSIE-TC
  A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline
  ☆15Updated last year
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 2 years ago