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 / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆36Updated last year
• AdeeshKolluru / AdsorbDiff
  [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion
  ☆12Updated 9 months ago
• ml-jku / MHNfs
  ☆17Updated 10 months ago
• lamalab-org / matextract-book
  ☆35Updated this week
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆45Updated last year
• lamalab-org / chembench-paper
  ☆20Updated 3 weeks ago
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆97Updated 8 months ago
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆70Updated last year
• mlederbauer / glossagen
  create a glossary out of your manuscript in materials and chemistry – instantly
  ☆11Updated 7 months ago
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆83Updated 2 months ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆27Updated 2 months ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 3 months ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆57Updated last year
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆39Updated 8 months ago
• zrqiao / torch-gauge
  A light-weight PyTorch extension for equivariant deep learning
  ☆15Updated this week
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆25Updated last year
• AI4ChemS / Eunomia
  Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
  ☆45Updated 3 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last month
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• doncamilom / BOLLaMa
  ☆25Updated 6 months ago
• ur-whitelab / chemcrow-runs
  ☆79Updated 10 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆37Updated 10 months ago
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆95Updated last year
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆29Updated last year
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• garywei944 / ChemFlow
  Uncover meaningful structures of latent spaces learned by generative models with flows!
  ☆41Updated 9 months ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 7 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆36Updated 7 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆57Updated 5 months ago