fengshikun / FradNMILinks
☆25Updated last year
Alternatives and similar repositories for FradNMI
Users that are interested in FradNMI are comparing it to the libraries listed below
Sorting:
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆43Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago
- Official repository of ReactZyme☆39Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆71Updated 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
- Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models☆15Updated 2 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆101Updated last year
- ☆96Updated 7 months ago
- An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning☆28Updated 2 years ago
- Molecular Hypergraph Neural Network☆43Updated 6 months ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆35Updated 2 months ago
- ☆65Updated 7 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆45Updated 2 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆101Updated 2 years ago
- ☆17Updated last year
- Official repository for MolCRAFT series☆138Updated 3 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- ☆26Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆17Updated last year
- coming soon☆28Updated 2 years ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆35Updated last year
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆74Updated 11 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Updated 2 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆61Updated last year
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆35Updated 2 weeks ago
- ☆78Updated 11 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆89Updated 2 years ago
- Serializing molecule 3D structures☆14Updated last year
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Updated 11 months ago