Alternatives and similar repositories for webBO

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

• schwallergroup / chaos
  ☆19Updated last year
• BlauGroup / HiPRGen
  ☆27Updated last year
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆32Updated last year
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆15Updated 2 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆45Updated 7 months ago
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆33Updated 6 months ago
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆66Updated last month
• materials-data-facility / llm-resources
  ☆20Updated last year
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated last year
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 3 years ago
• malcolmsimgithub / ChemOS2.0
  ☆17Updated last year
• helgestein / helao-pub
  hierachical automation of the natural sciences
  ☆23Updated 11 months ago
• aspuru-guzik-group / gryffin
  ☆58Updated 2 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆24Updated last year
• PV-Lab / ZoMBI
  Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…
  ☆19Updated last year
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 7 months ago
• rileyhickman / atlas
  Bayesian optimization for chemistry
  ☆18Updated last year
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆77Updated last month
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆23Updated 5 years ago
• NREL / m2p
  ☆35Updated 6 months ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆34Updated this week
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated last year
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆22Updated 3 years ago
• duartegroup / cgbind
  metallocage construction and binding affinity calculations
  ☆16Updated 2 years ago
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆28Updated 4 months ago
• aspuru-guzik-group / selfies_tutorial
  ☆15Updated 4 years ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆20Updated last year
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆28Updated 2 years ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆47Updated 3 weeks ago