learningmatter-mit/atomisticskills
GitHubSkill
Installs
chem-nmr-analysis
9
chem-dft-orca-optimization
9
chem-dft-orca-advanced-calculation
8
mat-xrd-phase-analysis
8
chem-conformer-search
8
chem-ts-optimization
7
chem-dft-orca-singlepoint
7
chem-thermochemistry
7
chem-db-qmof
7
chem-spectrum-matcher
7
mat-lammps-md
7
mat-electrochemical-window
7
chem-irc-verification
7
mat-dft-vasp
7
chem-vibration
7
ml-foundation-potentials
6
drug-docking-analysis
6
ml-mlip-benchmark
6
chem-solution-md
6
chem-bond-dissociation
6
chem-neb-barrier
6
mat-intercalation-voltage
6
mat-dft-lobster
6
mat-calphad-phase-diagram
6
mat-db-nist-janaf
6
mat-db-optimade
6
mat-elasticity
6
mat-dft-electronic-transport
6
mat-md-probability-density
6
mat-phonon
6
mat-diffusion-analysis
6
mat-elemental-energies
6
ml-bayesian-optimization
6
general-property-units
6
mat-dielectric-response
6
ml-property-predictor
6
chem-docking-void
5
general-chemical-literature
5
mat-dft-electron-phonon
5
drug-admet-prediction
5
mat-synthesis-extraction
5
chem-sorption-gcmc
5
mat-equation-of-state
5
drug-trajectory-analysis
5
mat-grain-boundary
5
general-biorxiv-search
5
ml-generative-mattergen
5
general-fair-data-review
5
general-workflow-planner
5
mat-surface-adsorption
5
mat-xrd-calculator
5
general-presentation
5
mat-amorphization
5
ml-generative-diffcsp
5
mat-magnetic-density
5
drug-protein-ligand-md
5
mat-dft-ferroelectric
5
mat-solid-free-energy
5
chem-similarity-search
5
general-chemical-pricing
5
general-plot-digitizer
5
mat-xrd-digitizer
5
ml-committee-uncertainty
5
mat-md-monitors
5
chem-react-ot
5
mat-disorder
5
mat-ionic-substitution
5
mat-xrd-refinement
5
mat-surface-energy
5
drug-db-chembl
5
mat-pourbaix-diagram
5
general-deep-research
5
mat-phase-field-conservative
5
drug-bioactivity-assay
5
mat-defect-energy-dft
5
mat-grand-canonical-mc
5
drug-docking-vina
5
mat-structure-novelty
5
general-patent-search
5
ml-fairchem-finetune
5
chem-nmr-predict
5
chem-sorption-widom
5
general-arxiv-search
5
ml-mlip-nvalchemi
5
drug-protein-prep
5
chem-msms-predict
5
mat-reaction-network
5
drug-retrosynthesis
5
chem-db-spectra
5
chem-sorption-relax
5
mat-defect-energy
5
mat-phase-diagram
5
drug-redocking-rmsd
5
drug-pose-validation
5
mat-kinetic-monte-carlo
5
mat-sample-pes-by-md
5
drug-db-pubchem
5
chem-db-mof
5
ml-cluster-expansion
5
mat-raman-spectra
5
general-peer-review
5
mat-melting-point
5
drug-pocket-detection
5
mat-electronic-structure
5
ml-property-predict-scd
5
chem-hazard-toxicity
5
drug-ligand-prep
5
ml-matgl-finetune
5
mat-dft-mixing-functionals
5
mat-calphad-property-diagram
5
ml-mace-finetune
5
mat-stability
5
drug-db-pdb
5
mat-qha-thermal-expansion
5
mat-random-structure-search
5
general-query-literature-database
5
mat-db-mp
5
drug-mmpbsa-gbsa
5
mat-lattice-thermal-conductivity
5
mat-synthesis-recommendation
5
mat-phase-field-non-conservative
5
drug-molecular-fingerprints
5
drug-binding-site-definition
5
ml-mlip-speed
5
drug-complex-system-builder
5
ml-mlip-automl
5
ml-generative-adit
5
mat-epw-mobility
3
mat-edi-mobility
1