Alternatives and similar repositories for molzip

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

• YerevaNN / BARTSmiles
  BARTSmiles, generative masked language model for molecular representations
  ☆33Updated last year
• whitead / minimalaf
  Minimal AlphaFold
  ☆53Updated 10 months ago
• ml-jku / vnegnn
  ☆32Updated 2 months ago
• lucidrains / neural-plexer-pytorch
  Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …
  ☆51Updated last year
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆73Updated last year
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated 3 months ago
• kolibril13 / ipyMolecularNodes
  molecular plots in Jupyter, powererd by Blender Geometry Nodes
  ☆55Updated last year
• jssweller / DrugHIVE
  DrugHIVE: Structure-based drug design with a deep hierarchical generative model
  ☆102Updated 8 months ago
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆66Updated 3 weeks ago
• aspuru-guzik-group / group-selfies
  ☆63Updated 2 years ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆56Updated 5 months ago
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆60Updated last year
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆53Updated last month
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆40Updated last year
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• wenhao-gao / SynNet
  ☆90Updated 2 years ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 8 months ago
• rinikerlab / molecular_time_series
  Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9
  ☆20Updated last year
• datamol-io / splito
  Machine Learning dataset splitting for life sciences.
  ☆28Updated last year
• gmum / huggingmolecules
  ☆123Updated last year
• coleygroup / DiffMS
  ☆81Updated last week
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆56Updated 8 months ago
• ltorres97 / FS-GNNTR
  FS-GNNTR: Few-shot Learning with Transformers via Graph Embeddings for Molecular Property Prediction
  ☆19Updated 3 months ago
• ur-whitelab / MDCrow
  Molecular dynamics simulations with an LLM agent
  ☆198Updated 3 months ago
• Jonas-Verhellen / Bayesian-Illumination
  Bayesian Illumination is an accelerated generative model for optimization of small molecules.
  ☆17Updated last month
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆48Updated this week
• Acellera / acegen-open
  Language models for drug discovery using torchrl
  ☆92Updated 2 weeks ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆57Updated last month
• ur-whitelab / BO-ICL
  BayesOpt + LIFT
  ☆70Updated 2 months ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆62Updated 2 months ago