Alternatives and similar repositories for chaos

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

• ImperialCollegeLondon / webBO
  ☆11Updated 5 months ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆13Updated last year
• Bene94 / SMILES2PropertiesTransformer
  A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing
  ☆23Updated 11 months ago
• coleygroup / polymer-chemprop-data
  Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
  ☆20Updated 2 years ago
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆19Updated 3 years ago
• NREL / m2p
  ☆31Updated last month
• doyle-lab-ucla / bandit-optimization
  Reinforcement learning prioritizes general applicability in reaction optimization
  ☆22Updated 5 months ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 10 months ago
• sustainable-processes / multitask
  Accelerating Bayesian reaction optimization with limited data
  ☆10Updated 2 years ago
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆25Updated 2 months ago
• cgrambow / ard_gsm
  Automated reaction discovery and dataset generation with the growing string method
  ☆20Updated 5 years ago
• Ramprasad-Group / psmiles
  Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint
  ☆35Updated 11 months ago
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆27Updated 2 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆45Updated 2 years ago
• THGLab / NewtonNet
  A Newtonian message passing network for deep learning of interatomic potentials and forces
  ☆44Updated 2 months ago
• aspuru-guzik-group / selfies_tutorial
  ☆15Updated 4 years ago
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆25Updated 3 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 2 months ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆31Updated this week
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆39Updated last month
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆35Updated 8 months ago
• PV-Lab / ZoMBI
  Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…
  ☆17Updated last year
• aspuru-guzik-group / gryffin
  ☆58Updated 2 years ago
• malcolmsimgithub / ChemOS2.0
  ☆18Updated last year
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆42Updated last month
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆18Updated last year
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆23Updated 3 months ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆33Updated 3 years ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆31Updated 11 months ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆42Updated 3 months ago