Alternatives and similar repositories for elembert:

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

• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆54Updated 3 weeks ago
• DrugBud-Suite / CADD_Vault
  ☆37Updated 3 weeks ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆52Updated last year
• molecule-generator-collection / ChemTSv2
  Refined and extended version of ChemTS
  ☆91Updated this week
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆42Updated 2 weeks ago
• wenhao-gao / SynNet
  ☆87Updated 2 years ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆38Updated 9 months ago
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆57Updated 8 months ago
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆78Updated 2 months ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆59Updated last month
• gmum / mldd23
  The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the …
  ☆22Updated last year
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆36Updated 11 months ago
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆73Updated 5 months ago
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆87Updated last month
• SylwiaNowakowska / LLM_Fine_Tuning_Molecular_Properties
  Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.
  ☆20Updated last year
• Acellera / acegen-open
  Language models for drug discovery using torchrl
  ☆75Updated 2 months ago
• datamol-io / safe
  A single model for all your molecular design tasks
  ☆101Updated 2 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆41Updated 2 months ago
• BioSystemsUM / DeepMol
  DeepMol: A Machine and Deep Learning Framework for Computational Chemistry
  ☆130Updated last week
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆25Updated 2 years ago
• cosconatilab / PyRMD
  AI-powered Virtual Screening
  ☆83Updated last year
• jostorge / diffusion-hopping
  DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
  ☆31Updated last year
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆32Updated 2 months ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 11 months ago
• rxn4chemistry / rxn_yields
  Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…
  ☆113Updated 2 years ago
• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN
  ☆54Updated this week
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆28Updated 4 months ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆37Updated 3 months ago
• azminewasi / Awesome-MoML-NeurIPS24
  ALL Molecular ML papers from NeurIPS'24.
  ☆43Updated 2 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated last year