fengshikun / FradNMI
☆18Updated 3 weeks ago
Alternatives and similar repositories for FradNMI:
Users that are interested in FradNMI are comparing it to the libraries listed below
- Official repository of ReactZyme☆26Updated 4 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 9 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆77Updated 9 months ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆36Updated 4 months ago
- ☆45Updated last month
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 8 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆27Updated 5 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆46Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆46Updated 2 years ago
- Molecular Hypergraph Neural Network☆32Updated 6 months ago
- ☆19Updated 5 months ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆48Updated 5 months ago
- ☆14Updated 3 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆91Updated last year
- ☆24Updated 3 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆39Updated 2 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆26Updated last week
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- ☆21Updated 4 months ago
- [AAAI'24] DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization☆13Updated 6 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- ☆10Updated 7 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆30Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- ☆48Updated 2 years ago