Alternatives and similar repositories for FFiNet

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

• OdinZhang / SDEGen
  ☆23Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• juanniwu / t-SMILES
  ☆33Updated 2 months ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• davidbuterez / multi-fidelity-gnns-for-drug-discovery-and-quantum-mechanics
  Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fideli…
  ☆27Updated 11 months ago
• pnnl / solubility-prediction-paper
  ☆14Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆23Updated 8 months ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• molML / traversing_chem_space
  ☆23Updated 10 months ago
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆47Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆44Updated 3 years ago
• ChloeKong / RG-MPNN
  ☆18Updated 2 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆40Updated 2 years ago
• yydiao1025 / Macformer
  ☆34Updated last year
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆22Updated last year
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• DrugAI / ACNet
  ☆15Updated 3 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• zaixizhang / MolCode
  Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design
  ☆8Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆27Updated last year
• blackmints / InteractionNet
  ☆12Updated 4 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆31Updated 3 weeks ago
• micahwang / RELATION
  ☆17Updated 2 years ago