Alternatives and similar repositories for FradNMI:

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

• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆24Updated 3 months ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆46Updated last year
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆37Updated 8 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 9 months ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years 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
• bowen-gao / ProFSA
  [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
  ☆12Updated 7 months ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆27Updated 3 months ago
• LabWeng / MeTDDI
  ☆19Updated 4 months ago
• smiles724 / Molformer
  ☆90Updated 2 years ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆89Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆76Updated 8 months ago
• jiaxianyan / DeltaDock
  ☆20Updated 3 months ago
• meyresearch / SILVR
  ☆33Updated 7 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆46Updated 2 years ago
• LirongWu / Prompt-DDG
  Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…
  ☆35Updated 3 months ago
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆56Updated 7 months ago
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆32Updated 5 months ago
• XintSong / RMSF-net
  ☆10Updated 6 months ago
• SigmaGenX / TamGen
  ☆22Updated 2 months ago
• smiles724 / ProtMD
  ☆62Updated 2 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆42Updated 5 months ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆49Updated 2 years ago
• THGLab / LP-PDBBind
  ☆34Updated 11 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆89Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated 11 months ago
• juanniwu / t-SMILES
  ☆29Updated last month
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆48Updated 4 months ago
• wangxr0526 / EasIFA
  Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”
  ☆23Updated last week
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 4 months ago