Alternatives and similar repositories for awesome-self-driving-labs

Users that are interested in awesome-self-driving-labs are comparing it to the libraries listed below

• sparks-baird / self-driving-lab-demo
  Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…
  ☆77Updated 3 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆42Updated last year
• 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
  ☆99Updated last year
• lab-cosmo / chemiscope
  An interactive structure/property explorer for materials and molecules
  ☆158Updated this week
• blaiszik / awesome-matchem-datasets
  ☆234Updated last week
• TorchSim / torch-sim
  Torch-native, batchable, atomistic simulations.
  ☆291Updated this week
• virtualzx-nad / geodesic-interpolate
  Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
  ☆60Updated 7 months ago
• rociomer / dl-chem-101
  Example implementations of common machine learning projects in chemistry.
  ☆178Updated last year
• molmod / psiflow
  scalable molecular simulation
  ☆137Updated 2 weeks ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆46Updated 2 months ago
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆60Updated last week
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆80Updated 3 weeks ago
• hjkgrp / molSimplify
  molSimplify code
  ☆195Updated last month
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆168Updated last month
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆63Updated last year
• ur-whitelab / MDCrow
  Molecular dynamics simulations with an LLM agent
  ☆209Updated 6 months ago
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆167Updated last year
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆161Updated this week
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆107Updated this week
• paulrobustelli / CHEM101.6
  ☆125Updated last year
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆78Updated 4 years ago
• choderalab / espaloma
  Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
  ☆246Updated 3 months ago
• ncfrey / resources
  A Highly Opinionated List of Open Source Materials Informatics Resources
  ☆140Updated 3 years ago
• Open-Catalyst-Project / Open-Catalyst-Dataset
  Workflow for creating and analyzing the Open Catalyst Dataset
  ☆113Updated 8 months ago
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆150Updated 4 months ago
• zotko / xyz2graph
  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
  ☆86Updated last month
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆108Updated last month
• materialsproject / reaction-network
  Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …
  ☆117Updated 8 months ago
• hachmannlab / chemml
  ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
  ☆169Updated last month
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆108Updated this week