Alternatives and similar repositories for atlas

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

• 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
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆13Updated 7 months ago
• schwallergroup / chaos
  ☆18Updated 10 months ago
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated 10 months ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆30Updated 2 weeks ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆29Updated 9 months ago
• BlauGroup / HiPRGen
  ☆25Updated 7 months ago
• stefanbringuier / ORB-LAMMPS-PATCH
  Adds Orb Model functionality to LAMMPS via Python wrapping
  ☆13Updated 2 months ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 8 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆20Updated 8 months ago
• janosh / dielectrics
  Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…
  ☆10Updated last month
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆20Updated 3 weeks ago
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 5 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆20Updated 3 weeks ago
• THGLab / MLHessian-TSopt
  ☆17Updated 10 months ago
• fsk-lab / botier
  Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs
  ☆10Updated last month
• hasan-sayeed / RAGSkeleton
  RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.
  ☆12Updated 2 months ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• blokhin / materials-informatics-tutorial
  A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
  ☆16Updated 8 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 2 weeks ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆17Updated last month
• aspuru-guzik-group / da_for_polymers
  Augmenting Polymer Datasets via Iterative Rearrangement
  ☆11Updated last year
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 2 weeks ago
• WilmerLab / mofun
  ☆22Updated 2 years ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 10 months ago
• nomad-coe / matid
  MatID is a Python package for identifying and analyzing atomistic systems based on their structure.
  ☆13Updated 4 months ago