Alternatives and similar repositories for MolRep:

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

• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆188Updated 2 years ago
• pyli0628 / MPG
  ☆47Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆116Updated last year
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆150Updated 2 years ago
• uta-smile / SMILES-BERT
  ☆48Updated 4 years ago
• OpenDrugAI / AttentiveFP
  ☆182Updated 2 years ago
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• divelab / MoleculeX
  ☆166Updated 3 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated last year
• jaechanglim / GNN_DTI
  ☆67Updated 4 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆106Updated 7 months ago
• SY575 / CMPNN
  ☆75Updated last year
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆76Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆52Updated last year
• guaguabujianle / MGraphDTA
  ☆50Updated 8 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆67Updated last year
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆87Updated last year
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆168Updated last year
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆52Updated 11 months ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆20Updated 6 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆121Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆277Updated last year
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆37Updated 3 years ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆83Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆138Updated last year
• DirectMolecularConfGen / DMCG
  ☆53Updated 2 years ago
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆135Updated 2 years ago