Alternatives and similar repositories for polaris

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

• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆94Updated last year
• datamol-io / molfeat
  molfeat - the hub for all your molecular featurizers
  ☆220Updated 7 months ago
• datamol-io / safe
  A single model for all your molecular design tasks
  ☆160Updated 3 months ago
• terraytherapeutics / COATI
  COATI: multi-modal contrastive pre-training for representing and traversing chemical space
  ☆116Updated last year
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆64Updated 6 months ago
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆143Updated last year
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆267Updated 3 weeks ago
• JacksonBurns / chemeleon
  CheMeleon Descriptor-based Foundation Model
  ☆96Updated last week
• mims-harvard / ATOMICA
  Learning Universal Representations of Intermolecular Interactions with ATOMICA
  ☆192Updated 3 months ago
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆105Updated last year
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆217Updated 3 months ago
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆210Updated last week
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆91Updated last week
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆197Updated last month
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆159Updated 3 months ago
• t7morgen / misato-dataset
  ☆229Updated 3 weeks ago
• openforcefield / protein-ligand-benchmark
  Protein-Ligand Benchmark Dataset for Free Energy Calculations
  ☆211Updated last year
• molecularinformatics / Computational-ADME
  ☆98Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆118Updated 2 years ago
• jssweller / DrugHIVE
  DrugHIVE: Structure-based drug design with a deep hierarchical generative model
  ☆105Updated last year
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆202Updated 11 months ago
• kochgroup / intro_pharma_ai
  A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
  ☆157Updated 3 months ago
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆177Updated 2 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆68Updated 6 months ago
• LPDI-EPFL / DrugFlow
  Multi-domain Distribution Learning for De Novo Drug Design
  ☆133Updated 2 weeks ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆181Updated last month
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆36Updated last year
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆61Updated last year
• valence-labs / mtl_summer_school_2024
  ☆47Updated last year
• bjing2016 / mdgen
  Generative modeling of molecular dynamics trajectories
  ☆185Updated last month