Alternatives and similar repositories for LLM_Fine_Tuning_Molecular_Properties:

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

• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆44Updated last month
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated last year
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆39Updated 4 months ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆63Updated 3 months 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…
  ☆54Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆60Updated last month
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆32Updated 2 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆89Updated this week
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆87Updated 2 months ago
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆33Updated 5 months ago
• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN
  ☆55Updated this week
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆39Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆33Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆32Updated 11 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆35Updated 6 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆38Updated 9 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆72Updated last year
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆38Updated 3 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆50Updated 2 weeks ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated last month
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆37Updated last year
• fimrie / DeLinker
  ☆38Updated 4 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆73Updated last year
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 3 years ago
• idrugLab / FP-GNN_CYP
  ☆15Updated 2 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆42Updated 3 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆61Updated 2 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆24Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆26Updated 10 months ago