smiles724 / MolformerLinks
☆96Updated last month
Alternatives and similar repositories for Molformer
Users that are interested in Molformer are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated 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
- ☆58Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- ☆50Updated 4 years ago
- ☆64Updated last month
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated last year
- Papers about Structure-based Drug Design (SBDD)☆119Updated 7 months ago
- Chemical-Reaction-Aware Molecule Representation Learning☆79Updated 3 years ago
- generative model for drug discovery☆63Updated 3 weeks ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 10 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆33Updated last month
- ☆76Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- ☆48Updated 2 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆76Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- Official repository for MolCRAFT series☆107Updated 3 weeks ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆42Updated 3 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆42Updated 2 years ago