fengshikun / FradNMILinks
☆25Updated 11 months ago
Alternatives and similar repositories for FradNMI
Users that are interested in FradNMI are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆44Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- ☆96Updated 6 months ago
- ☆65Updated 6 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- coming soon☆28Updated 2 years ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆26Updated 2 months ago
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆14Updated last year
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆99Updated last year
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆99Updated 2 years ago
- An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning☆28Updated 2 years ago
- ☆31Updated 3 years ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Updated 10 months ago
- ☆26Updated last year
- A new retrieval-based framework for controllable molecule generation.☆49Updated 2 years ago
- Official repository of ReactZyme☆37Updated last year
- Molecular Hypergraph Neural Network☆43Updated 6 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆101Updated 2 years ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆45Updated 2 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆81Updated 2 years ago
- ☆61Updated 3 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆45Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆34Updated last year
- ☆27Updated last year