fengshikun / FradNMI
☆23Updated 3 months ago
Alternatives and similar repositories for FradNMI:
Users that are interested in FradNMI are comparing it to the libraries listed below
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆83Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆39Updated 7 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 7 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 7 months ago
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆11Updated 11 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆19Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆46Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆38Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆91Updated 2 years ago
- ☆34Updated last month
- ☆39Updated 2 years ago
- ☆23Updated last year
- ☆16Updated 6 months ago
- Obtain and organize all feasible fragmentation of molecular methods☆31Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Molecular Set Representation Learning☆48Updated 5 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆48Updated last year
- BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆37Updated this week
- ☆54Updated 2 years ago
- ☆16Updated 6 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆53Updated 9 months ago
- my own studied materials and scripts☆49Updated 3 weeks ago
- ☆17Updated 4 months ago
- ☆32Updated 5 months ago
- Official repository of ReactZyme☆30Updated 6 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 10 months ago
- ☆64Updated 2 years ago