Alternatives and similar repositories for BO-LIFT:

Users that are interested in BO-LIFT are comparing it to the libraries listed below

• learningmatter-mit / GLAMOUR
  Graph Learning over Macromolecule Representations
  ☆21Updated 2 years ago
• lamalab-org / matextract-book
  ☆37Updated 3 weeks ago
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆85Updated 3 months ago
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆70Updated last year
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆94Updated last year
• lamalab-org / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆38Updated last year
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆99Updated 8 months ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 4 months ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆30Updated 3 months ago
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• graphcore / ogb-lsc-pcqm4mv2
  The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …
  ☆74Updated 7 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆39Updated 11 months ago
• doncamilom / BOLLaMa
  ☆25Updated 7 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last month
• lamalab-org / chembench
  How good are LLMs at chemistry?
  ☆64Updated this week
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆42Updated 8 months ago
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆41Updated 8 months ago
• lamalab-org / chembench-paper
  ☆20Updated last month
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated last year
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆31Updated last month
• ur-whitelab / chemcrow-runs
  ☆81Updated 11 months ago
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆111Updated 4 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆36Updated 8 months ago
• ankur56 / ChemLoRA
  ☆25Updated last year
• Jonas-Verhellen / Bayesian-Illumination
  Bayesian Illumination is an accelerated generative model for optimization of small molecules.
  ☆15Updated 8 months ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆33Updated 2 months ago
• mlederbauer / glossagen
  create a glossary out of your manuscript in materials and chemistry – instantly
  ☆11Updated 8 months ago
• hoon-ock / CatBERTa
  Large Language Model for Catalyst Property Prediction
  ☆23Updated last year
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆45Updated last year