Alternatives and similar repositories for dZiner

Users that are interested in dZiner are comparing it to the libraries listed below

• materials-data-facility / matchem-llm
  A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
  ☆100Updated last year
• doncamilom / BOLLaMa
  ☆26Updated last year
• qai222 / LLM_organic_synthesis
  ☆26Updated last year
• argonne-lcf / ChemGraph
  Agentic framework for computational chemistry and materials science workflows
  ☆36Updated this week
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆28Updated last month
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆28Updated 3 months ago
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆22Updated 5 months ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆47Updated 3 years ago
• jenna-fromer / qPO
  ☆15Updated 9 months ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆78Updated 5 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆42Updated last year
• rxn4chemistry / nmr-to-structure
  Prediction molecular structure from NMR spectra
  ☆34Updated last year
• IBM / trajcast
  TrajCast: Force-Free MD Through Autoregressive Equivariant Networks
  ☆55Updated 3 weeks ago
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆24Updated 4 months ago
• owencqueen / PolymerGNN
  Polymer property prediction with GNNs and deep set learning.
  ☆24Updated 2 years ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆13Updated 2 years ago
• lamalab-org / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆45Updated last year
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆46Updated 3 weeks ago
• NREL / m2p
  ☆34Updated 3 months ago
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆78Updated 4 years ago
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆64Updated last month
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆61Updated 11 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆65Updated last year
• seonghann / tsdiff
  Diffusion model for transition state prediction
  ☆43Updated last year
• rxn4chemistry / rxn-ir-to-structure
  Predicting molecular structure from Infrared (IR) Spectra
  ☆25Updated last year
• general-molecular-simulations / so3lr
  SO3krates and Universal Pairwise Force Field for Molecular Simulation
  ☆133Updated last week
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆20Updated 3 years ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆20Updated last year
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆62Updated 4 months ago
• geemi725 / XpertAI
  Extract structure-functions from data using XAI and LLMs
  ☆26Updated 9 months ago