AIRI-Institute / GOLF
GOLF: Gradual Optimization Learning for Conformational Energy Minimization
☆19Updated 8 months ago
Alternatives and similar repositories for GOLF:
Users that are interested in GOLF are comparing it to the libraries listed below
- nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset☆204Updated last month
- Spatial Epitope Modeling with Artificial intelligence (SEMA)☆36Updated last year
- GENA-LM is a transformer masked language model trained on human DNA sequence.☆190Updated this week
- Lo-Hi Splitter for Modern Splits of Molecular Datasets☆53Updated 6 months ago
- MULAN: Multimodal Protein Language Model for Sequence and Structure Encoding☆17Updated 3 weeks ago
- The Hierarchical Intrinsically Motivated Agent (HIMA) is an algorithm that is intended to exhibit an adaptive goal-directed behavior usin…☆39Updated 2 months ago
- BERT-based model for Russian language biomedical text mining☆23Updated 2 years ago
- eco4cast library aims to reduce carbon footprint of machine learning models with predictive cloud computing scheduling☆17Updated 8 months ago
- ☆16Updated 7 months ago
- ☆29Updated last year
- A neural network training framework within a task-based parallel programming paradigm☆53Updated this week
- A library built upon PyTorch for building embeddings on discrete event sequences using self-supervision☆9Updated 2 months ago
- Tutorial on generative models based on ordinary (ODE) and stochastic (SDE) differential equations☆45Updated last year
- ☆16Updated 7 months ago
- Deep Generative Models course, 2023☆56Updated last year
- Simulator for training and evaluation of Recommender Systems☆55Updated last month
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆76Updated 8 months ago
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆38Updated last month
- The source code for the paper "Optimizing Backward Policies in GFlowNets via Trajectory Likelihood Maximization" (ICLR 2025)☆26Updated last month
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆96Updated 8 months ago
- A GFlowNet with a chemical synthesis action space.☆49Updated 2 months ago
- EBES: EASY BENCHMARKING FOR EVENT SEQUENCES☆18Updated 2 weeks ago
- Generative modeling of molecular dynamics trajectories☆153Updated 3 weeks ago
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆11Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆102Updated last month
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆76Updated last month
- Source code of the Stanford Ribonanza RNA Folding first place solution☆32Updated last year
- Russian Medical Questions Dataset (RuMedQ) is a synthetic dataset containing pairs of "symptom" - "medical question regarding this sympto…☆19Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆80Updated 5 months ago
- molfeat - the hub for all your molecular featurizers☆204Updated 3 weeks ago