Alternatives and similar repositories for MOLLEO

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

• schwallergroup / steer
  ☆40Updated 2 months ago
• NVlabs / RetMol
  A new retrieval-based framework for controllable molecule generation.
  ☆49Updated 2 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆65Updated 2 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆62Updated 3 months ago
• Acellera / acegen-open
  Language models for drug discovery using torchrl
  ☆97Updated 3 weeks ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• lamm-mit / ProtAgents
  ☆39Updated last year
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆38Updated 5 months ago
• ml-jku / mhn-react
  Modern Hopfield Network (MHN) for template relevance prediction
  ☆45Updated 2 years ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆32Updated last year
• aspuru-guzik-group / group-selfies
  ☆69Updated 2 years ago
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆43Updated 2 years ago
• juanniwu / t-SMILES
  ☆36Updated 6 months ago
• haoteli / MOSAIC
  Multiple Optimized Specialists for AI-Driven Chemical Predictions
  ☆19Updated this week
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆43Updated last year
• wenhao-gao / SynNet
  ☆93Updated 2 years ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆27Updated last year
• wenhao-gao / synformer
  ☆52Updated 8 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆48Updated last week
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆109Updated 2 years ago
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆39Updated last year
• YerevaNN / BARTSmiles
  BARTSmiles, generative masked language model for molecular representations
  ☆34Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆94Updated 8 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆40Updated last year
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆26Updated last week
• coleygroup / DiffMS
  ☆86Updated 3 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆48Updated 2 years ago
• KyGao / Mol-StrucTok
  Serializing molecule 3D structures
  ☆14Updated 10 months ago
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆118Updated 2 months ago