ml-jku / clamp
Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
☆85Updated this week
Related projects: ⓘ
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆32Updated last week
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆79Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆87Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆59Updated 4 months ago
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆59Updated last month
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆101Updated last year
- generative model for drug discovery☆59Updated 9 months ago
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆89Updated this week
- ☆40Updated last month
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆66Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆59Updated 5 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆40Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆108Updated 3 months ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆34Updated 2 years ago
- Molecular Out-Of-Distribution☆35Updated 7 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆24Updated 5 months ago
- A new retrieval-based framework for controllable molecule generation.☆43Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆72Updated 2 years ago
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆34Updated 5 months ago
- [ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts☆83Updated 11 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆30Updated 5 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆48Updated 10 months ago
- The official implementation of dual-view molecule pre-training.☆37Updated 2 years ago
- ☆46Updated 3 months ago
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆19Updated 2 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆84Updated last year
- ☆10Updated 3 years ago
- Research repo for AI aided drug discovery, de novo drug development and related topics☆33Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆36Updated last month