Alternatives and similar repositories for GNN-Bottleneck

Users that are interested in GNN-Bottleneck are comparing it to the libraries listed below

• pgmikhael / clipzyme
  Reaction-Conditioned Virtual Screening of Enzymes
  ☆34Updated last month
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• WeiLab-Biology / DeepProSite
  ☆32Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 4 months ago
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆57Updated 11 months ago
• HySonLab / Protein_Pretrain
  Multimodal Pretraining for Unsupervised Protein Representation Learning
  ☆22Updated 9 months ago
• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆30Updated 7 months ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆59Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆70Updated last month
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆30Updated 7 months ago
• JocelynSong / SurfPro
  ☆26Updated last month
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆83Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆27Updated last year
• CataAI / PoseX
  PoseX: A Molecular Docking Benchmark
  ☆29Updated this week
• stebliankin / piston
  Evaluating Protein Binding Interfaces with Transformer Networks
  ☆46Updated last year
• EureKaZhu / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆35Updated last year
• SigmaGenX / TamGen
  ☆33Updated 5 months ago
• DeepGraphLearning / S3F
  Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)
  ☆33Updated 5 months ago
• vsomnath / holoprot
  Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
  ☆46Updated last year
• TencentAI4S / IgGM
  [ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design
  ☆71Updated last week
• kad-ecoli / mmCIF2BioLiP
  BioLiP2 database curation and web interface
  ☆26Updated 2 months ago
• LirongWu / Prompt-DDG
  Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…
  ☆39Updated 7 months ago
• wangxr0526 / EasIFA
  Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”
  ☆33Updated 2 months ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆105Updated 2 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• allanchen95 / ESMPair
  Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models
  ☆15Updated last year
• amelvim / antibody-diffusion-properties
  Guiding diffusion models for antibody sequence and structure co-design with developability properties.
  ☆33Updated 6 months ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆47Updated 3 years ago
• myprecioushh / ZeroBind
  ☆23Updated last year